N-[1-(hydrazinecarbonyl)ethyl]methanesulfonamide

• ChemBase ID: 270162
• Molecular Formular: C4H11N3O3S
• Molecular Mass: 181.21344
• Monoisotopic Mass: 181.05211223
• SMILES: S(=O)(=O)(NC(C(=O)NN)C)C
• Canonical SMILES: NNC(=O)C(NS(=O)(=O)C)C
• InChI: InChI=1S/C4H11N3O3S/c1-3(4(8)6-5)7-11(2,9)10/h3,7H,5H2,1-2H3,(H,6,8)
• InChIKey: BTKDUCRRVNGNDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(hydrazinecarbonyl)ethyl]methanesulfonamide
• IUPAC Traditional name: N-[1-(hydrazinecarbonyl)ethyl]methanesulfonamide
• Synonyms: N-[1-(hydrazinecarbonyl)ethyl]methanesulfonamide

Database IDs

• MDL Number: MFCD09836487
• PubChem SID: 164326072
• PubChem CID: 14004833

CALCULATED PROPERTIES

• Acid pKa: 10.170994
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.3691852
• LogD (pH = 7.4): -2.3689077
• Log P: -2.3682442
• Molar Refractivity: 39.8484 cm^3
• Polarizability: 16.222992 Å^3
• Polar Surface Area: 101.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -1.806

Product Information

• Purity: 95%