2-(3-methoxybenzenesulfonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 844137
• Molecular Formular: C18H26N2O4S
• Molecular Mass: 366.47504
• Monoisotopic Mass: 366.16132832
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C(C)C)CCC2)CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C18H26N2O4S/c1-14(2)20-10-5-8-18(17(20)21)9-11-19(13-18)25(22,23)16-7-4-6-15(12-16)24-3/h4,6-7,12,14H,5,8-11,13H2,1-3H3
• InChIKey: UGFNJCSABDLZKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxybenzenesulfonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(3-methoxybenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-[(3-methoxyphenyl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.594249
• LogD (pH = 7.4): 1.5942495
• Log P: 1.5942495
• Molar Refractivity: 96.2528 cm^3
• Polarizability: 38.158142 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -4.31
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3