piperidine-1-sulfonamide

• ChemBase ID: 258427
• Molecular Formular: C5H12N2O2S
• Molecular Mass: 164.22598
• Monoisotopic Mass: 164.06194863
• SMILES: S(=O)(=O)(N1CCCCC1)N
• Canonical SMILES: NS(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
• InChIKey: FLKRMXAWABTWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-sulfonamide
• IUPAC Traditional name: piperidine-1-sulfonamide
• Synonyms: piperidine-1-sulfonamide

Database IDs

• MDL Number: MFCD11171675
• PubChem SID: 164314337
• PubChem CID: 276741

CALCULATED PROPERTIES

• Acid pKa: 11.436912
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6935872
• LogD (pH = 7.4): -0.693621
• Log P: -0.69358563
• Molar Refractivity: 38.777 cm^3
• Polarizability: 16.10821 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 0.96

Product Information

• Purity: 95%; 98%