N-(2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)methanesulfonamide

• ChemBase ID: 761109
• Molecular Formular: C16H27N3O4S
• Molecular Mass: 357.46828
• Monoisotopic Mass: 357.17222736
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)CNS(=O)(=O)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)CNS(=O)(=O)C
• InChI: InChI=1S/C16H27N3O4S/c1-24(22,23)17-11-14(20)18-10-8-16(12-18)7-4-9-19(15(16)21)13-5-2-3-6-13/h13,17H,2-12H2,1H3
• InChIKey: FASAQSOBBCWUMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)methanesulfonamide
• IUPAC Traditional name: N-(2-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)methanesulfonamide
• Synonyms: N-[2-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]methanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.969536
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.88658476
• LogD (pH = 7.4): -0.8876049
• Log P: -0.88656974
• Molar Refractivity: 89.6899 cm^3
• Polarizability: 35.835262 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.26
• LOG S: -3.34
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 3