2-(methanesulfonylmethyl)pyrrolidine

• ChemBase ID: 271390
• Molecular Formular: C6H13NO2S
• Molecular Mass: 163.23792
• Monoisotopic Mass: 163.06669966
• SMILES: S(=O)(=O)(CC1NCCC1)C
• Canonical SMILES: CS(=O)(=O)CC1CCCN1
• InChI: InChI=1S/C6H13NO2S/c1-10(8,9)5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
• InChIKey: VAVPZFZZRHYBLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methanesulfonylmethyl)pyrrolidine
• IUPAC Traditional name: 2-(methanesulfonylmethyl)pyrrolidine
• Synonyms: 2-(methanesulfonylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD19597915
• PubChem SID: 164327300
• PubChem CID: 22275221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2309775
• LogD (pH = 7.4): -3.1957247
• Log P: -1.0476214
• Molar Refractivity: 39.972 cm^3
• Polarizability: 16.779062 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.699

Product Information

• Purity: 95%