1-methanesulfonyl-3-methylpiperidin-4-amine

• ChemBase ID: 284495
• Molecular Formular: C7H16N2O2S
• Molecular Mass: 192.27914
• Monoisotopic Mass: 192.09324876
• SMILES: S(=O)(=O)(N1CC(C(CC1)N)C)C
• Canonical SMILES: NC1CCN(CC1C)S(=O)(=O)C
• InChI: InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3
• InChIKey: FRNHPJXWQSBQMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-3-methylpiperidin-4-amine
• IUPAC Traditional name: 1-methanesulfonyl-3-methylpiperidin-4-amine
• Synonyms: 1-methanesulfonyl-3-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD22056456
• PubChem SID: 180670026
• PubChem CID: 67385582

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.416675
• LogD (pH = 7.4): -3.8783634
• Log P: -1.3973961
• Molar Refractivity: 47.6585 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.887

Product Information

• Purity: 95%