2-(2,6-difluorobenzenesulfonyl)-8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 563399
• Molecular Formular: C15H20F2N2O2S
• Molecular Mass: 330.3933064
• Monoisotopic Mass: 330.12135533
• SMILES: S(=O)(=O)(N1CC2(CC1)CCN(CC2)C)c1c(F)cccc1F
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)S(=O)(=O)c1c(F)cccc1F
• InChI: InChI=1S/C15H20F2N2O2S/c1-18-8-5-15(6-9-18)7-10-19(11-15)22(20,21)14-12(16)3-2-4-13(14)17/h2-4H,5-11H2,1H3
• InChIKey: OGTFMALXYFWLKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-difluorobenzenesulfonyl)-8-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(2,6-difluorobenzenesulfonyl)-8-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(2,6-difluorophenyl)sulfonyl]-8-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2026297
• LogD (pH = 7.4): 0.5415737
• Log P: 1.7039075
• Molar Refractivity: 81.3777 cm^3
• Polarizability: 31.676573 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.27
• LOG S: -2.54
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1