N-[1-(cyclohex-1-en-1-yl)ethyl]-4-sulfamoylbutanamide

• ChemBase ID: 658393
• Molecular Formular: C12H22N2O3S
• Molecular Mass: 274.37968
• Monoisotopic Mass: 274.13511357
• SMILES: S(=O)(=O)(N)CCCC(=O)NC(C1=CCCCC1)C
• Canonical SMILES: O=C(NC(C1=CCCCC1)C)CCCS(=O)(=O)N
• InChI: InChI=1S/C12H22N2O3S/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-18(13,16)17/h6,10H,2-5,7-9H2,1H3,(H,14,15)(H2,13,16,17)
• InChIKey: PGIRNUHVBOJKLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohex-1-en-1-yl)ethyl]-4-sulfamoylbutanamide
• IUPAC Traditional name: N-[1-(cyclohex-1-en-1-yl)ethyl]-4-sulfamoylbutanamide
• Synonyms: 4-(aminosulfonyl)-N-(1-cyclohex-1-en-1-ylethyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.70087
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.24056257
• LogD (pH = 7.4): 0.2405437
• Log P: 0.24056295
• Molar Refractivity: 71.3854 cm^3
• Polarizability: 28.417446 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.79
• LOG S: -1.88
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 6