1-methylcyclopropane-1-sulfonamide

• ChemBase ID: 70723
• Molecular Formular: C4H9NO2S
• Molecular Mass: 135.18476
• Monoisotopic Mass: 135.03539953
• SMILES: C1(CC1)(S(=O)(=O)N)C
• Canonical SMILES: CC1(CC1)S(=O)(=O)N
• InChI: InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
• InChIKey: ATJVVVCODTXRAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopropane-1-sulfonamide
• IUPAC Traditional name: 1-methylcyclopropane-1-sulfonamide
• Synonyms: 1-Methylcyclopropanesulfonamide

Database IDs

• CAS Number: 669008-26-8
• MDL Number: MFCD11501466
• PubChem SID: 162036436
• PubChem CID: 21889814

CALCULATED PROPERTIES

• Acid pKa: 12.248641
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.33254072
• LogD (pH = 7.4): -0.33254611
• Log P: -0.33254066
• Molar Refractivity: 30.2877 cm^3
• Polarizability: 12.757984 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%