N-(piperidin-2-ylmethyl)aminosulfonamide

• ChemBase ID: 280825
• Molecular Formular: C6H15N3O2S
• Molecular Mass: 193.2672
• Monoisotopic Mass: 193.08849774
• SMILES: S(=O)(=O)(NCC1NCCCC1)N
• Canonical SMILES: NS(=O)(=O)NCC1CCCCN1
• InChI: InChI=1S/C6H15N3O2S/c7-12(10,11)9-5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H2,7,10,11)
• InChIKey: YFDNSOTZYQZYQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-2-ylmethyl)aminosulfonamide
• IUPAC Traditional name: N-(piperidin-2-ylmethyl)aminosulfonamide
• Synonyms: N-(piperidin-2-ylmethyl)sulfamide

Database IDs

• MDL Number: MFCD09863842
• PubChem SID: 180666356
• PubChem CID: 43810871

CALCULATED PROPERTIES

• Acid pKa: 11.042166
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.2826385
• LogD (pH = 7.4): -2.8492322
• Log P: -1.2218981
• Molar Refractivity: 46.2749 cm^3
• Polarizability: 19.464231 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.157

Product Information

• Purity: 95%