N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

• ChemBase ID: 235132
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(CC1NCCC1)NC
• Canonical SMILES: CNS(=O)(=O)CC1CCCN1
• InChI: InChI=1S/C6H14N2O2S/c1-7-11(9,10)5-6-3-2-4-8-6/h6-8H,2-5H2,1H3
• InChIKey: CFLKEXMTOKBOPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
• IUPAC Traditional name: N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
• Synonyms: N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

Database IDs

• MDL Number: MFCD14688652
• PubChem SID: 164291042
• PubChem CID: 61546212

CALCULATED PROPERTIES

• Acid pKa: 11.131998
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.256466
• LogD (pH = 7.4): -3.3280566
• Log P: -1.2927057
• Molar Refractivity: 43.023 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): -0.214

Product Information

• Purity: 95%