1-chloromethanesulfonylpyrrolidine

• ChemBase ID: 308857
• Molecular Formular: C5H10ClNO2S
• Molecular Mass: 183.6564
• Monoisotopic Mass: 183.01207725
• SMILES: S(=O)(=O)(N1CCCC1)CCl
• Canonical SMILES: ClCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C5H10ClNO2S/c6-5-10(8,9)7-3-1-2-4-7/h1-5H2
• InChIKey: WNUGGCKSNKHGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloromethanesulfonylpyrrolidine
• IUPAC Traditional name: 1-chloromethanesulfonylpyrrolidine
• Synonyms: 1-[(chloromethyl)sulfonyl]pyrrolidine

Database IDs

• CAS Number: 98069-37-5
• MDL Number: MFCD13188561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.09127016
• LogD (pH = 7.4): 0.09127016
• Log P: 0.09127016
• Molar Refractivity: 40.1123 cm^3
• Polarizability: 16.493845 Å^3
• Polar Surface Area: 37.38 Å^2