piperidine-3-sulfonamide hydrochloride

• ChemBase ID: 256734
• Molecular Formular: C5H13ClN2O2S
• Molecular Mass: 200.68692
• Monoisotopic Mass: 200.03862635
• SMILES: S(=O)(=O)(C1CNCCC1)N.Cl
• Canonical SMILES: NS(=O)(=O)C1CCCNC1.Cl
• InChI: InChI=1S/C5H12N2O2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H2,6,8,9);1H
• InChIKey: MMEMQBKTAIAORE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11099460
• PubChem SID: 164312644
• PubChem CID: 42946476

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: 169 - 171°C
• Hydrophobicity(logP): -0.93

Product Information

• Purity: 95%