N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

• ChemBase ID: 259095
• Molecular Formular: C6H10N2O3S
• Molecular Mass: 190.2202
• Monoisotopic Mass: 190.04121319
• SMILES: S(=O)(=O)(Cc1noc(c1)C)NC
• Canonical SMILES: CNS(=O)(=O)Cc1noc(c1)C
• InChI: InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3
• InChIKey: SDSNLNFNGILSAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
• IUPAC Traditional name: N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
• Synonyms: N-methyl(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

Database IDs

• MDL Number: MFCD11172477
• PubChem SID: 164315005
• PubChem CID: 28788252

CALCULATED PROPERTIES

• Acid pKa: 9.9951725
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.48496744
• LogD (pH = 7.4): -0.48593
• Log P: -0.48495406
• Molar Refractivity: 44.0171 cm^3
• Polarizability: 17.217026 Å^3
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): -0.972

Product Information

• Purity: 95%