N-cyclopentyl-N-methylaminosulfonamide

• ChemBase ID: 242740
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(N(C1CCCC1)C)N
• Canonical SMILES: CN(S(=O)(=O)N)C1CCCC1
• InChI: InChI=1S/C6H14N2O2S/c1-8(11(7,9)10)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,7,9,10)
• InChIKey: DZPFAGWJALPBKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-methylaminosulfonamide
• IUPAC Traditional name: N-cyclopentyl-N-methylaminosulfonamide
• Synonyms: N-cyclopentyl-N-methylaminosulfonamide

Database IDs

• MDL Number: MFCD11618723
• PubChem SID: 164298650
• PubChem CID: 43243299

CALCULATED PROPERTIES

• Acid pKa: 11.239644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.18925062
• LogD (pH = 7.4): -0.18930557
• Log P: -0.18924992
• Molar Refractivity: 43.0482 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.665

Product Information

• Purity: 95%