1-[(6-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine

• ChemBase ID: 232391
• Molecular Formular: C10H17N5O2S
• Molecular Mass: 271.33928
• Monoisotopic Mass: 271.11029581
• SMILES: S(=O)(=O)(N1CCN(CC1)C)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C
• InChI: InChI=1S/C10H17N5O2S/c1-14-4-6-15(7-5-14)18(16,17)9-2-3-10(13-11)12-8-9/h2-3,8H,4-7,11H2,1H3,(H,12,13)
• InChIKey: LIVHBFWELMRSAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(6-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine
• IUPAC Traditional name: 1-(6-hydrazinylpyridin-3-ylsulfonyl)-4-methylpiperazine
• Synonyms: [5-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yl]-hydrazine

Database IDs

• MDL Number: MFCD04612888
• PubChem SID: 164288301
• PubChem CID: 2461353

CALCULATED PROPERTIES

• Acid pKa: 18.845753
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.9701568
• LogD (pH = 7.4): -0.37382412
• Log P: -0.357824
• Molar Refractivity: 71.9227 cm^3
• Polarizability: 27.322525 Å^3
• Polar Surface Area: 91.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 0.676

Product Information

• Purity: 95%