[ethyl(methyl)sulfamoyl]amine

• ChemBase ID: 281344
• Molecular Formular: C3H10N2O2S
• Molecular Mass: 138.1887
• Monoisotopic Mass: 138.04629857
• SMILES: S(=O)(=O)(N(CC)C)N
• Canonical SMILES: CCN(S(=O)(=O)N)C
• InChI: InChI=1S/C3H10N2O2S/c1-3-5(2)8(4,6)7/h3H2,1-2H3,(H2,4,6,7)
• InChIKey: FTZYZXOSQVEAFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [ethyl(methyl)sulfamoyl]amine
• IUPAC Traditional name: [ethyl(methyl)sulfamoyl]amine
• Synonyms: [ethyl(methyl)sulfamoyl]amine

Database IDs

• MDL Number: MFCD11623179
• PubChem SID: 180666875
• PubChem CID: 43263646

CALCULATED PROPERTIES

• Acid pKa: 12.120637
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1871439
• LogD (pH = 7.4): -1.1871512
• Log P: -1.1871438
• Molar Refractivity: 31.3836 cm^3
• Polarizability: 13.169777 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.278

Product Information

• Purity: 95%