N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)morpholine-4-sulfonamide

• ChemBase ID: 848855
• Molecular Formular: C15H27N3O4S
• Molecular Mass: 345.45758
• Monoisotopic Mass: 345.17222736
• SMILES: S(=O)(=O)(N1CCOCC1)NC1CC(=O)N(C1)C1CCCCCC1
• Canonical SMILES: O=C1CC(CN1C1CCCCCC1)NS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C15H27N3O4S/c19-15-11-13(12-18(15)14-5-3-1-2-4-6-14)16-23(20,21)17-7-9-22-10-8-17/h13-14,16H,1-12H2
• InChIKey: DOXBUGQOMVTAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)morpholine-4-sulfonamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)morpholine-4-sulfonamide
• Synonyms: N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-4-morpholinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.9604645
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.051302694
• LogD (pH = 7.4): -0.052346274
• Log P: -0.051289286
• Molar Refractivity: 86.3222 cm^3
• Polarizability: 34.98736 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.99
• LOG S: -2.72
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2