5,5-diethyl-2-oxo-1,3-oxazolidine-3-sulfonyl chloride

• ChemBase ID: 248388
• Molecular Formular: C7H12ClNO4S
• Molecular Mass: 241.69248
• Monoisotopic Mass: 241.01755655
• SMILES: N1(S(=O)(=O)Cl)C(=O)OC(C1)(CC)CC
• Canonical SMILES: CCC1(CC)CN(C(=O)O1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H12ClNO4S/c1-3-7(4-2)5-9(6(10)13-7)14(8,11)12/h3-5H2,1-2H3
• InChIKey: JFAZWMBRQGQXIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-diethyl-2-oxo-1,3-oxazolidine-3-sulfonyl chloride
• IUPAC Traditional name: 5,5-diethyl-2-oxo-1,3-oxazolidine-3-sulfonyl chloride
• Synonyms: 5,5-diethyl-2-oxo-1,3-oxazolidine-3-sulfonyl chloride

Database IDs

• PubChem SID: 164304298
• PubChem CID: 71758469

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7512153
• LogD (pH = 7.4): 1.7512153
• Log P: 1.7512153
• Molar Refractivity: 51.1001 cm^3
• Polarizability: 21.108973 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.379

Product Information

• Purity: null%