N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)pyrrolidine-1-sulfonamide

• ChemBase ID: 479017
• Molecular Formular: C15H27N3O3S
• Molecular Mass: 329.45818
• Monoisotopic Mass: 329.17731274
• SMILES: S(=O)(=O)(N1CCCC1)NC1CC(=O)N(C1)C1CCCCCC1
• Canonical SMILES: O=C1CC(CN1C1CCCCCC1)NS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C15H27N3O3S/c19-15-11-13(16-22(20,21)17-9-5-6-10-17)12-18(15)14-7-3-1-2-4-8-14/h13-14,16H,1-12H2
• InChIKey: YWQUQELFDMMLER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)pyrrolidine-1-sulfonamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)pyrrolidine-1-sulfonamide
• Synonyms: N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-1-pyrrolidinesulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.48
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5
• H Donor: 1
• Log P: 3.28

JChem

• Molar Refractivity: 84.7887 cm^3
• Polarizability: 34.258698 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.128764
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5729995
• LogD (pH = 7.4): 0.57229084
• Log P: 0.57300866