2-methanesulfonyl-N-methylcyclohexan-1-amine

• ChemBase ID: 279105
• Molecular Formular: C8H17NO2S
• Molecular Mass: 191.29108
• Monoisotopic Mass: 191.09799979
• SMILES: S(=O)(=O)(C1C(NC)CCCC1)C
• Canonical SMILES: CNC1CCCCC1S(=O)(=O)C
• InChI: InChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3
• InChIKey: QSOXLKJJIZJVNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16871270
• PubChem SID: 164335015
• PubChem CID: 14615345

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.00972
• LogD (pH = 7.4): -1.5804095
• Log P: 0.053472213
• Molar Refractivity: 48.968 cm^3
• Polarizability: 20.447124 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.065

Product Information

• Purity: 95%