(methylsulfamoyl)amine

• ChemBase ID: 261277
• Molecular Formular: CH6N2O2S
• Molecular Mass: 110.13554
• Monoisotopic Mass: 110.01499844
• SMILES: S(=O)(=O)(NC)N
• Canonical SMILES: CNS(=O)(=O)N
• InChI: InChI=1S/CH6N2O2S/c1-3-6(2,4)5/h3H,1H3,(H2,2,4,5)
• InChIKey: NOXPGSDFQWSNSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfamoyl)amine
• IUPAC Traditional name: (methylsulfamoyl)amine
• Synonyms: (methylsulfamoyl)amine

Database IDs

• MDL Number: MFCD02691960
• PubChem SID: 164317187
• PubChem CID: 13168287

CALCULATED PROPERTIES

• Acid pKa: 12.776372
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7676278
• LogD (pH = 7.4): -1.7676295
• Log P: -1.7676278
• Molar Refractivity: 21.7383 cm^3
• Polarizability: 9.545877 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): -1.294

Product Information

• Purity: 95%