1-methanesulfonylpyrrolidin-3-amine hydrochloride

• ChemBase ID: 276073
• Molecular Formular: C5H13ClN2O2S
• Molecular Mass: 200.68692
• Monoisotopic Mass: 200.03862635
• SMILES: S(=O)(=O)(N1CC(CC1)N)C.Cl
• Canonical SMILES: NC1CCN(C1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h5H,2-4,6H2,1H3;1H
• InChIKey: FNZSDPRWSRHDQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonylpyrrolidin-3-amine hydrochloride
• IUPAC Traditional name: 1-methanesulfonylpyrrolidin-3-amine hydrochloride
• Synonyms: 1-methanesulfonylpyrrolidin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD19382033
• PubChem SID: 164331983
• PubChem CID: 54593999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.908023
• LogD (pH = 7.4): -3.855587
• Log P: -1.9366794
• Molar Refractivity: 38.3767 cm^3
• Polarizability: 16.10821 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.921

Product Information

• Purity: 95%