(ethylsulfamoyl)amine

• ChemBase ID: 247588
• Molecular Formular: C2H8N2O2S
• Molecular Mass: 124.16212
• Monoisotopic Mass: 124.03064851
• SMILES: S(=O)(=O)(NCC)N
• Canonical SMILES: CCNS(=O)(=O)N
• InChI: InChI=1S/C2H8N2O2S/c1-2-4-7(3,5)6/h4H,2H2,1H3,(H2,3,5,6)
• InChIKey: OIGRHMGALPXFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303498
• PubChem CID: 21263690

CALCULATED PROPERTIES

• Acid pKa: 12.23839
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.41082
• LogD (pH = 7.4): -1.4108255
• Log P: -1.4108199
• Molar Refractivity: 26.4869 cm^3
• Polarizability: 11.353574 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.765

Product Information

• Purity: 95%