2-(1-methanesulfonylpiperidin-2-yl)ethan-1-amine

• ChemBase ID: 309306
• Molecular Formular: C8H18N2O2S
• Molecular Mass: 206.30572
• Monoisotopic Mass: 206.10889883
• SMILES: S(=O)(=O)(N1C(CCN)CCCC1)C
• Canonical SMILES: NCCC1CCCCN1S(=O)(=O)C
• InChI: InChI=1S/C8H18N2O2S/c1-13(11,12)10-7-3-2-4-8(10)5-6-9/h8H,2-7,9H2,1H3
• InChIKey: HLTVSFGMPXNJBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methanesulfonylpiperidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-methanesulfonylpiperidin-2-yl)ethanamine
• Synonyms: 2-[1-(methylsulfonyl)-2-piperidinyl]ethanamine

Database IDs

• CAS Number: 1018307-27-1
• MDL Number: MFCD10016162

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.9227848
• LogD (pH = 7.4): -3.1912959
• Log P: -0.91478825
• Molar Refractivity: 52.4877 cm^3
• Polarizability: 21.597046 Å^3
• Polar Surface Area: 63.4 Å^2