N-(1-cyclopropylethyl)-N-methylsulfamoyl chloride

• ChemBase ID: 269204
• Molecular Formular: C6H12ClNO2S
• Molecular Mass: 197.68298
• Monoisotopic Mass: 197.02772731
• SMILES: S(=O)(=O)(N(C(C1CC1)C)C)Cl
• Canonical SMILES: CC(N(S(=O)(=O)Cl)C)C1CC1
• InChI: InChI=1S/C6H12ClNO2S/c1-5(6-3-4-6)8(2)11(7,9)10/h5-6H,3-4H2,1-2H3
• InChIKey: HBWYFEPLSSZWKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropylethyl)-N-methylsulfamoyl chloride
• IUPAC Traditional name: N-(1-cyclopropylethyl)-N-methylsulfamoyl chloride
• Synonyms: N-(1-cyclopropylethyl)-N-methylsulfamoyl chloride

Database IDs

• MDL Number: MFCD12140474
• PubChem SID: 164325114
• PubChem CID: 43569022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.99347275
• LogD (pH = 7.4): 0.99347275
• Log P: 0.99347275
• Molar Refractivity: 45.0321 cm^3
• Polarizability: 18.364128 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.475

Product Information

• Purity: 95%