2-methanesulfonyl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 626327
• Molecular Formular: C14H24N2O4S
• Molecular Mass: 316.41636
• Monoisotopic Mass: 316.14567826
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C3CCOCC3)CCC2)CC1)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)C)C1CCOCC1
• InChI: InChI=1S/C14H24N2O4S/c1-21(18,19)15-8-6-14(11-15)5-2-7-16(13(14)17)12-3-9-20-10-4-12/h12H,2-11H2,1H3
• InChIKey: FKZALNXJIKXNQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonyl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-methanesulfonyl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(methylsulfonyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 78.9487 cm^3
• Polarizability: 31.629385 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.174804
• LogD (pH = 7.4): -1.1748023
• Log P: -1.1748023

供应商提供(Chembridge)

• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 1
• H Acceptors: 4
• H Donor: 0
• Log P: 0.06
• LOG S: -2.87