8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-amine hydrochloride

• ChemBase ID: 277927
• Molecular Formular: C8H17ClN2O2S
• Molecular Mass: 240.75078
• Monoisotopic Mass: 240.06992647
• SMILES: S(=O)(=O)(N1C2CC(CC1CC2)N)C.Cl
• Canonical SMILES: NC1CC2CCC(C1)N2S(=O)(=O)C.Cl
• InChI: InChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7;/h6-8H,2-5,9H2,1H3;1H
• InChIKey: OLCNWVNLNNJBOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-amine hydrochloride
• IUPAC Traditional name: 8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-amine hydrochloride
• Synonyms: 8-methanesulfonyl-8-azabicyclo[3.2.1]octan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD19982457
• PubChem SID: 164333837
• PubChem CID: 54594792

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.368551
• LogD (pH = 7.4): -3.7863414
• Log P: -1.351388
• Molar Refractivity: 50.1235 cm^3
• Polarizability: 20.880922 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.092

Product Information

• Purity: 95%