1-methanesulfonylpiperidin-4-amine hydrochloride - ≥97% , CAS No.651057-01-1

CAS: 651057-01-1 Cat. No.: M177061 Molecular Weight: 214.71 EC Number: 825-502-4

GRADE & PURITY ≥97%

Synonyms

1-methanesulfonylpiperidin-4-amine hydrochloride | 1-methylsulfonylpiperidin-4-amine hydrochloride | MFCD08690153 | SCHEMBL928103 | 1-(methylsulfonyl)piperidin-4-amine HCl | A834975 | EN300-26205 | F8889-5285 | SY020447 | Q-103040 | X4ZGP7K714 | 4-AMINO-1

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-methanesulfonylpiperidin-4-amine hydrochloride | 1-methylsulfonylpiperidin-4-amine hydrochloride | MFCD08690153 | SCHEMBL928103 | 1-(methylsulfonyl)piperidin-4-amine HCl | A834975 | EN300-26205 | F8889-5285 | SY020447 | Q-103040 | X4ZGP7K714 | 4-AMINO-1

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)N1CCC(CC1)N.Cl
• IUPAC Name: 1-methylsulfonylpiperidin-4-amine;hydrochloride
• InChIKey: BASBDQBWDDKEDK-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H
• Isomeric SMILES: CS(=O)(=O)N1CCC(CC1)N.Cl
• Molecular Weight: 214.71
• Reaxy-Rn: 14395077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14395077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Organosulfonamides Organic sulfonamides Sulfonyls Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrochloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino group.
• 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: 214.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 214.054 Da
• Monoisotopic Mass: 214.054 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 211.000
• 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

XLogP3