N,2-diethyl-N-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

• ChemBase ID: 720584
• Molecular Formular: C20H33N3O2S
• Molecular Mass: 379.55992
• Monoisotopic Mass: 379.22934831
• SMILES: S(=O)(=O)(N1CCC2(CC(CN(C2)CC)c2ccccc2)CC1)N(CC)C
• Canonical SMILES: CCN(S(=O)(=O)N1CCC2(CC1)CN(CC)CC(C2)c1ccccc1)C
• InChI: InChI=1S/C20H33N3O2S/c1-4-21(3)26(24,25)23-13-11-20(12-14-23)15-19(16-22(5-2)17-20)18-9-7-6-8-10-18/h6-10,19H,4-5,11-17H2,1-3H3
• InChIKey: FBSYFLOJXYAAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-diethyl-N-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• IUPAC Traditional name: N,2-diethyl-N-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• Synonyms: N,2-diethyl-N-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2792183
• LogD (pH = 7.4): 0.28353593
• Log P: 1.9522365
• Molar Refractivity: 108.0288 cm^3
• Polarizability: 42.936687 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -3.06
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3