1-[(2-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine

• ChemBase ID: 275882
• Molecular Formular: C10H17N5O2S
• Molecular Mass: 271.33928
• Monoisotopic Mass: 271.11029581
• SMILES: S(=O)(=O)(c1c(nccc1)NN)N1CCN(CC1)C
• Canonical SMILES: NNc1ncccc1S(=O)(=O)N1CCN(CC1)C
• InChI: InChI=1S/C10H17N5O2S/c1-14-5-7-15(8-6-14)18(16,17)9-3-2-4-12-10(9)13-11/h2-4H,5-8,11H2,1H3,(H,12,13)
• InChIKey: AESPTFWBXWWDNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-hydrazinylpyridin-3-yl)sulfonyl]-4-methylpiperazine
• IUPAC Traditional name: 1-(2-hydrazinylpyridin-3-ylsulfonyl)-4-methylpiperazine
• Synonyms: 1-[(2-hydrazinopyridin-3-yl)sulfonyl]-4-methylpiperazine

Database IDs

• MDL Number: MFCD11981454
• PubChem SID: 164331792
• PubChem CID: 43383633

CALCULATED PROPERTIES

• Acid pKa: 15.985721
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.9545273
• LogD (pH = 7.4): -0.3744826
• Log P: -0.357824
• Molar Refractivity: 71.9227 cm^3
• Polarizability: 27.324883 Å^3
• Polar Surface Area: 91.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): -1.441

Product Information

• Purity: 95%