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

• ChemBase ID: 481483
• Molecular Formular: C18H26N2O4S
• Molecular Mass: 366.47504
• Monoisotopic Mass: 366.16132832
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC2)CCC)CC1)c1cc(OC)ccc1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1cccc(c1)OC
• InChI: InChI=1S/C18H26N2O4S/c1-3-10-19-11-5-8-18(17(19)21)9-12-20(14-18)25(22,23)16-7-4-6-15(13-16)24-2/h4,6-7,13H,3,5,8-12,14H2,1-2H3
• InChIKey: AFJQXHSRHREAGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.7001963
• LogD (pH = 7.4): 1.7001969
• Log P: 1.7001969
• Molar Refractivity: 96.358 cm^3
• Polarizability: 38.158142 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.05
• LOG S: -4.48
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4