9-(propane-2-sulfonyl)-3,9-diazaspiro[5.6]dodecane

• ChemBase ID: 502571
• Molecular Formular: C13H26N2O2S
• Molecular Mass: 274.42274
• Monoisotopic Mass: 274.17149908
• SMILES: S(=O)(=O)(N1CCC2(CCC1)CCNCC2)C(C)C
• Canonical SMILES: CC(S(=O)(=O)N1CCCC2(CC1)CCNCC2)C
• InChI: InChI=1S/C13H26N2O2S/c1-12(2)18(16,17)15-10-3-4-13(7-11-15)5-8-14-9-6-13/h12,14H,3-11H2,1-2H3
• InChIKey: SFOMXSSKKRXRRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(propane-2-sulfonyl)-3,9-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 9-(propane-2-sulfonyl)-3,9-diazaspiro[5.6]dodecane
• Synonyms: 9-(isopropylsulfonyl)-3,9-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4990244
• LogD (pH = 7.4): -2.0258687
• Log P: 0.7319208
• Molar Refractivity: 74.2722 cm^3
• Polarizability: 30.057236 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -1.82
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1