2-{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-2,8-diazaspiro[4.5]decane

• ChemBase ID: 488173
• Molecular Formular: C15H19N3O3S2
• Molecular Mass: 353.45966
• Monoisotopic Mass: 353.08678348
• SMILES: S(=O)(=O)(c1sc(c2oncc2)cc1)N1CC2(CC1)CCNCC2
• Canonical SMILES: O=S(=O)(c1ccc(s1)c1ccno1)N1CCC2(C1)CCNCC2
• InChI: InChI=1S/C15H19N3O3S2/c19-23(20,14-2-1-13(22-14)12-3-7-17-21-12)18-10-6-15(11-18)4-8-16-9-5-15/h1-3,7,16H,4-6,8-11H2
• InChIKey: LHDWOUHGVNGBBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[5-(1,2-oxazol-5-yl)thiophen-2-ylsulfonyl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[(5-isoxazol-5-yl-2-thienyl)sulfonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3096273
• LogD (pH = 7.4): -1.6221848
• Log P: 0.91037154
• Molar Refractivity: 88.1557 cm^3
• Polarizability: 36.08054 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.36
• LOG S: -1.93
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 2