N-cyclopentylaminosulfonamide

• ChemBase ID: 246178
• Molecular Formular: C5H12N2O2S
• Molecular Mass: 164.22598
• Monoisotopic Mass: 164.06194863
• SMILES: S(=O)(=O)(NC1CCCC1)N
• Canonical SMILES: NS(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C5H12N2O2S/c6-10(8,9)7-5-3-1-2-4-5/h5,7H,1-4H2,(H2,6,8,9)
• InChIKey: OZJCDEYUOMXVLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentylaminosulfonamide
• IUPAC Traditional name: N-cyclopentylaminosulfonamide
• Synonyms: N-cyclopentylaminosulfonamide

Database IDs

• MDL Number: MFCD16878609
• PubChem SID: 164302088
• PubChem CID: 21041393

CALCULATED PROPERTIES

• Acid pKa: 11.220827
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4129267
• LogD (pH = 7.4): -0.4129841
• Log P: -0.412926
• Molar Refractivity: 38.1515 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

• Hydrophobicity(logP): 0.178

Product Information

• Purity: 95%