7-(2-cyclohexylethyl)-2-methanesulfonyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 726740
• Molecular Formular: C17H30N2O3S
• Molecular Mass: 342.4967
• Monoisotopic Mass: 342.19771383
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC3CCCCC3)CCC2)CC1)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)C)CCC1CCCCC1
• InChI: InChI=1S/C17H30N2O3S/c1-23(21,22)19-13-10-17(14-19)9-5-11-18(16(17)20)12-8-15-6-3-2-4-7-15/h15H,2-14H2,1H3
• InChIKey: MJVDZMKQPJRNKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-methanesulfonyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-methanesulfonyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-cyclohexylethyl)-2-(methylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3449092
• LogD (pH = 7.4): 1.3449099
• Log P: 1.3449099
• Molar Refractivity: 90.8962 cm^3
• Polarizability: 36.397842 Å^3
• Polar Surface Area: 57.69 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: 2.6
• LOG S: -3.1
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3