N'-cyclopentyl-N-[2-(methylsulfamoyl)ethyl]butanediamide

• ChemBase ID: 420850
• Molecular Formular: C12H23N3O4S
• Molecular Mass: 305.39372
• Monoisotopic Mass: 305.14092723
• SMILES: S(=O)(=O)(CCNC(=O)CCC(=O)NC1CCCC1)NC
• Canonical SMILES: CNS(=O)(=O)CCNC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C12H23N3O4S/c1-13-20(18,19)9-8-14-11(16)6-7-12(17)15-10-4-2-3-5-10/h10,13H,2-9H2,1H3,(H,14,16)(H,15,17)
• InChIKey: VDZDBUNZKPGPHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-[2-(methylsulfamoyl)ethyl]butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-[2-(methylsulfamoyl)ethyl]succinamide
• Synonyms: N-cyclopentyl-N'-{2-[(methylamino)sulfonyl]ethyl}succinamide

CALCULATED PROPERTIES

JChem

• Polarizability: 29.949799 Å^3
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 11.692984
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.5412236
• LogD (pH = 7.4): -1.541243
• Log P: -1.5412234
• Molar Refractivity: 74.5064 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 3
• Log P: -0.18
• LOG S: -2.59