4-Methyl-1-(2-naphthylsulfonyl)piperidine , CAS No.322413-99-0

CAS: 322413-99-0 Cat. No.: M668498 Molecular Weight: 289.4
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Synonyms
4-methyl-1-(2-naphthylsulfonyl)piperidine | 4-Methyl-1-(naphthalene-2-sulfonyl)-piperidine | MLS000026924 | 4-methyl-1-naphthalen-2-ylsulfonylpiperidine | SMR000122855 | Oprea1_016003 | Oprea1_146168 | cid_767330 | BDBM39637 | HMS2363C23 | AKOS000677937 |
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M668498-1mg
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$571.90

$999.90
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5mg
M668498-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-methyl-1-(2-naphthylsulfonyl)piperidine | 4-Methyl-1-(naphthalene-2-sulfonyl)-piperidine | MLS000026924 | 4-methyl-1-naphthalen-2-ylsulfonylpiperidine | SMR000122855 | Oprea1_016003 | Oprea1_146168 | cid_767330 | BDBM39637 | HMS2363C23 | AKOS000677937 |
Storage
Room temperature
Product Properties
ALogP2.3
Names and Identifiers
Canonical SmilesCC1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
IUPAC Name4-methyl-1-naphthalen-2-ylsulfonylpiperidine
InChIKeyFQIMBGAHNJTRIQ-UHFFFAOYSA-N
INCHI1S/C16H19NO2S/c1-13-8-10-17(11-9-13)20(18,19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3
Isomeric SMILES CC1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
Molecular Weight 289.4
Reaxy-Rn 24520035
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24520035&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNaphthalene sulfonic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent2-naphthalene sulfonic acids and derivatives
Alternative Parents 2-naphthalene sulfonamides  Piperidines  Organosulfonamides  Sulfonyls  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MCOLN3 Tchem Mucolipin-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCOLN3 Tchem MCOLN3 protein (319 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nompc Ion channel NompC (277 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight289.400 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass289.114 Da
Monoisotopic Mass289.114 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count20
Formal Charge0
Complexity420.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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