[(2R)-1-methanesulfonylpyrrolidin-2-yl]methanamine

• ChemBase ID: 242383
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(N1[C@@H](CN)CCC1)C
• Canonical SMILES: NC[C@H]1CCCN1S(=O)(=O)C
• InChI: InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1
• InChIKey: RYZYXPKYSJEBDD-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-methanesulfonylpyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [(2R)-1-methanesulfonylpyrrolidin-2-yl]methanamine
• Synonyms: [(2R)-1-methanesulfonylpyrrolidin-2-yl]methanamine

Database IDs

• MDL Number: MFCD22406330
• PubChem SID: 164298293
• PubChem CID: 71757008

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3583546
• LogD (pH = 7.4): -3.1539962
• Log P: -1.4193166
• Molar Refractivity: 43.0213 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.302

Product Information

• Purity: 95%