N,N-dimethyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decane-8-sulfonamide

• ChemBase ID: 326416
• Molecular Formular: C19H27N3O3S
• Molecular Mass: 377.50098
• Monoisotopic Mass: 377.17731274
• SMILES: S(=O)(=O)(N1CCC2(CN(C(=O)C2)C/C=C/c2ccccc2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC2(CC1)CN(C(=O)C2)C/C=C/c1ccccc1)C
• InChI: InChI=1S/C19H27N3O3S/c1-20(2)26(24,25)22-13-10-19(11-14-22)15-18(23)21(16-19)12-6-9-17-7-4-3-5-8-17/h3-9H,10-16H2,1-2H3/b9-6+
• InChIKey: SLENCIUFXKWRON-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decane-8-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decane-8-sulfonamide
• Synonyms: N,N-dimethyl-3-oxo-2-[(2E)-3-phenyl-2-propen-1-yl]-2,8-diazaspiro[4.5]decane-8-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6777621
• LogD (pH = 7.4): 0.6777638
• Log P: 0.6777638
• Molar Refractivity: 103.9207 cm^3
• Polarizability: 40.692944 Å^3
• Polar Surface Area: 60.93 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: 0.91
• LOG S: -2.73
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 3