9-(pyrrolidine-1-sulfonyl)-3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 747757
• Molecular Formular: C13H24N2O3S
• Molecular Mass: 288.40626
• Monoisotopic Mass: 288.15076364
• SMILES: S(=O)(=O)(N1CCC2(CC1)CCOCC2)N1CCCC1
• Canonical SMILES: O=S(=O)(N1CCCC1)N1CCC2(CC1)CCOCC2
• InChI: InChI=1S/C13H24N2O3S/c16-19(17,14-7-1-2-8-14)15-9-3-13(4-10-15)5-11-18-12-6-13/h1-12H2
• InChIKey: AUYMHLPFOCATOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(pyrrolidine-1-sulfonyl)-3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-(pyrrolidine-1-sulfonyl)-3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(1-pyrrolidinylsulfonyl)-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.075887
• LogD (pH = 7.4): -0.07588618
• Log P: -0.07588617
• Molar Refractivity: 74.6844 cm^3
• Polarizability: 30.052185 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.65
• LOG S: -2.06
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 0