(dimethylsulfamoyl)amine

• ChemBase ID: 70248
• Molecular Formular: C2H8N2O2S
• Molecular Mass: 124.16212
• Monoisotopic Mass: 124.03064851
• SMILES: S(=O)(=O)(N)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N)C
• InChI: InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)
• InChIKey: QMHAHUAQAJVBIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethylsulfamoyl)amine; dimethyl(sulfamoyl)amine
• IUPAC Traditional name: (dimethylsulfamoyl)amine; dimethyl(sulfamoyl)amine
• Synonyms: (dimethylsulfamoyl)amine; N,N-Dimethylsulfamide

Database IDs

• CAS Number: 3984-14-3
• MDL Number: MFCD01861286
• PubChem SID: 162035971
• PubChem CID: 134472

CALCULATED PROPERTIES

• Acid pKa: 12.633688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5439519
• LogD (pH = 7.4): -1.543954
• Log P: -1.5439517
• Molar Refractivity: 26.635 cm^3
• Polarizability: 11.353574 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): -0.807

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%