2-(1,2-oxazolidin-2-yl)-2-oxo-S-(thiophen-2-yl)ethane-1-sulfonamido

• ChemBase ID: 817214
• Molecular Formular: C9H12N2O4S2
• Molecular Mass: 276.33258
• Monoisotopic Mass: 276.02384887
• SMILES: S(=O)(=O)(c1sccc1)NCC(=O)N1OCCC1
• Canonical SMILES: O=C(N1CCCO1)CNS(=O)(=O)c1cccs1
• InChI: InChI=1S/C9H12N2O4S2/c12-8(11-4-2-5-15-11)7-10-17(13,14)9-3-1-6-16-9/h1,3,6,10H,2,4-5,7H2
• InChIKey: INPCSZVEXSWVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2-oxazolidin-2-yl)-2-oxo-S-(thiophen-2-yl)ethane-1-sulfonamido
• IUPAC Traditional name: 2-(1,2-oxazolidin-2-yl)-2-oxo-S-(thiophen-2-yl)ethanesulfonamido
• Synonyms: N-[2-(2-isoxazolidinyl)-2-oxoethyl]-2-thiophenesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.770906
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.09288501
• LogD (pH = 7.4): -0.10868051
• Log P: -0.092678875
• Molar Refractivity: 61.3251 cm^3
• Polarizability: 24.876308 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.92
• LOG S: -1.82
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3