6-(4-methanesulfonylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 273627
• Molecular Formular: C10H16N4O2S
• Molecular Mass: 256.32464
• Monoisotopic Mass: 256.09939677
• SMILES: S(=O)(=O)(N1CCN(c2ncc(N)cc2)CC1)C
• Canonical SMILES: Nc1ccc(nc1)N1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C10H16N4O2S/c1-17(15,16)14-6-4-13(5-7-14)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
• InChIKey: GNTLRGFRRDFLRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methanesulfonylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(4-methanesulfonylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 6-(4-methanesulfonylpiperazin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD09882448
• PubChem SID: 164329537
• PubChem CID: 24253240

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9376432
• LogD (pH = 7.4): -0.9070045
• Log P: -0.80179846
• Molar Refractivity: 67.2659 cm^3
• Polarizability: 25.555403 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 0.324

Product Information

• Purity: 95%