2-methanesulfonyl-N-methylcyclopentan-1-amine

• ChemBase ID: 283358
• Molecular Formular: C7H15NO2S
• Molecular Mass: 177.2645
• Monoisotopic Mass: 177.08234973
• SMILES: S(=O)(=O)(C1C(NC)CCC1)C
• Canonical SMILES: CNC1CCCC1S(=O)(=O)C
• InChI: InChI=1S/C7H15NO2S/c1-8-6-4-3-5-7(6)11(2,9)10/h6-8H,3-5H2,1-2H3
• InChIKey: YVKMTUPGLFXONW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonyl-N-methylcyclopentan-1-amine
• IUPAC Traditional name: 2-methanesulfonyl-N-methylcyclopentan-1-amine
• Synonyms: 2-methanesulfonyl-N-methylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD16871260
• PubChem SID: 180668889
• PubChem CID: 54595738

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4137304
• LogD (pH = 7.4): -1.919552
• Log P: -0.39109644
• Molar Refractivity: 44.367 cm^3
• Polarizability: 18.61201 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.494

Product Information

• Purity: 95%