cyclopentylmethanesulfonamide

• ChemBase ID: 276378
• Molecular Formular: C6H13NO2S
• Molecular Mass: 163.23792
• Monoisotopic Mass: 163.06669966
• SMILES: S(=O)(=O)(CC1CCCC1)N
• Canonical SMILES: NS(=O)(=O)CC1CCCC1
• InChI: InChI=1S/C6H13NO2S/c7-10(8,9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,7,8,9)
• InChIKey: VLZJIHHRAQMQSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanesulfonamide
• IUPAC Traditional name: cyclopentylmethanesulfonamide
• Synonyms: cyclopentylmethanesulfonamide

Database IDs

• MDL Number: MFCD14694939
• PubChem SID: 164332288
• PubChem CID: 21803000

CALCULATED PROPERTIES

• Acid pKa: 11.044972
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.28665322
• LogD (pH = 7.4): 0.28656718
• Log P: 0.2866543
• Molar Refractivity: 39.3347 cm^3
• Polarizability: 16.405636 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): 0.597

Product Information

• Purity: 95%