piperidine-3-sulfonamide

• ChemBase ID: 265025
• Molecular Formular: C5H12N2O2S
• Molecular Mass: 164.22598
• Monoisotopic Mass: 164.06194863
• SMILES: S(=O)(=O)(C1CNCCC1)N
• Canonical SMILES: NS(=O)(=O)C1CCCNC1
• InChI: InChI=1S/C5H12N2O2S/c6-10(8,9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H2,6,8,9)
• InChIKey: RYMQXPUHFWFSSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-3-sulfonamide
• IUPAC Traditional name: piperidine-3-sulfonamide
• Synonyms: piperidine-3-sulfonamide

Database IDs

• MDL Number: MFCD09943069
• PubChem SID: 164320935
• PubChem CID: 24703810

CALCULATED PROPERTIES

• Acid pKa: 11.155453
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0691376
• LogD (pH = 7.4): -2.4824314
• Log P: -1.12971
• Molar Refractivity: 38.2501 cm^3
• Polarizability: 16.10821 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.93

Product Information

• Purity: 95%