7-cyclopentyl-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 576922
• Molecular Formular: C17H29N3O4S
• Molecular Mass: 371.49486
• Monoisotopic Mass: 371.18787742
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C3CCCC3)CCC2)CC1)N1CCOCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)N1CCOCC1)C1CCCC1
• InChI: InChI=1S/C17H29N3O4S/c21-16-17(6-3-8-20(16)15-4-1-2-5-15)7-9-19(14-17)25(22,23)18-10-12-24-13-11-18/h15H,1-14H2
• InChIKey: ILHMMIKXWSRWRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(morpholine-4-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(morpholin-4-ylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.008490989
• LogD (pH = 7.4): -0.00848922
• Log P: -0.008489198
• Molar Refractivity: 94.529 cm^3
• Polarizability: 37.933792 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.65
• LOG S: -2.66
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 1