1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine] hydrochloride - ≥97% , CAS No.159634-86-3

CAS: 159634-86-3 Cat. No.: M629767 Molecular Weight: 302.83 PubChem CID: 21956084

GRADE & PURITY ≥97%

Synonyms

1-(Methylsulfonyl)spiro[indoline-3,4 inverted exclamation mark -piperidine] Hydrochloride | SB65395 | 1,2-Dihydro-1-methanesulfonylspiro[3H-indole-3,4'-piperidine]hydrochloride | 1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine] hydrochloride | 1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-(Methylsulfonyl)spiro[indoline-3, 4 inverted exclamation mark -piperidine] Hydrochloride | SB65395 | 1, 2-Dihydro-1-methanesulfonylspiro[3H-indole-3, 4'-piperidine]hydrochloride | 1-methanesulfonyl-1, 2-dihydrospiro[indole-3, 4'-piperidine] hydrochloride | 1

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)N1CC2(CCNCC2)C3=CC=CC=C31.Cl
• IUPAC Name: 1-methylsulfonylspiro[2H-indole-3,4'-piperidine];hydrochloride
• InChIKey: SSILBPZKQNIXEO-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O2S.ClH/c1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15;/h2-5,14H,6-10H2,1H3;1H
• Isomeric SMILES: CS(=O)(=O)N1CC2(CCNCC2)C3=CC=CC=C31.Cl
• Alternate CAS: 159634-86-3
• PubChem CID: 21956084
• Molecular Weight: 302.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Aralkylamines Piperidines Organosulfonamides Organic sulfonamides Benzenoids Sulfonyls Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aralkylamine - Piperidine - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 302.820 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 302.086 Da
• Monoisotopic Mass: 302.086 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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