[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonamide

• ChemBase ID: 276036
• Molecular Formular: C4H7N3O4S
• Molecular Mass: 193.18108
• Monoisotopic Mass: 193.01572672
• SMILES: N1C(=O)N[C@H](C1=O)CS(=O)(=O)N
• Canonical SMILES: O=C1NC(=O)[C@@H](N1)CS(=O)(=O)N
• InChI: InChI=1S/C4H7N3O4S/c5-12(10,11)1-2-3(8)7-4(9)6-2/h2H,1H2,(H2,5,10,11)(H2,6,7,8,9)/t2-/m0/s1
• InChIKey: GFVKAURLNYLOFC-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
• IUPAC Traditional name: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
• Synonyms: [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonamide

Database IDs

• MDL Number: MFCD19382016
• PubChem SID: 164331946
• PubChem CID: 54593982

CALCULATED PROPERTIES

• Acid pKa: 9.464489
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.7928948
• LogD (pH = 7.4): -2.7964516
• Log P: -2.7928495
• Molar Refractivity: 37.0131 cm^3
• Polarizability: 15.470062 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.847

Product Information

• Purity: 95%