(1-(Pyridin-2-ylsulfonyl)piperidin-2-yl)methanamine hydrochloride - ≥95% , CAS No.1353958-82-3

CAS: 1353958-82-3 Cat. No.: P1310677 Molecular Weight: 291.8

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCN(C(C1)CN)S(=O)(=O)C2=CC=CC=N2.Cl
• IUPAC Name: (1-pyridin-2-ylsulfonylpiperidin-2-yl)methanamine;hydrochloride
• InChIKey: ZZVALGRVXUYWQL-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3O2S.ClH/c12-9-10-5-2-4-8-14(10)17(15,16)11-6-1-3-7-13-11;/h1,3,6-7,10H,2,4-5,8-9,12H2;1H
• Molecular Weight: 291.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Piperidines Organosulfonamides Sulfonyls Heteroaromatic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-2-sulfonamide - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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: 291.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 291.081 Da
• Monoisotopic Mass: 291.081 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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