5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine

• ChemBase ID: 232396
• Molecular Formular: C12H20N4O2S
• Molecular Mass: 284.3778
• Monoisotopic Mass: 284.1306969
• SMILES: S(=O)(=O)(N1CC(CC(C1)C)C)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CC(C)CC(C1)C
• InChI: InChI=1S/C12H20N4O2S/c1-9-5-10(2)8-16(7-9)19(17,18)11-3-4-12(15-13)14-6-11/h3-4,6,9-10H,5,7-8,13H2,1-2H3,(H,14,15)
• InChIKey: RJBRCHSKLLBXKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-hydrazinylpyridine
• IUPAC Traditional name: 5-(3,5-dimethylpiperidin-1-ylsulfonyl)-2-hydrazinylpyridine
• Synonyms: [5-(3,5-Dimethyl-piperidine-1-sulfonyl)-pyridin-2-yl]-hydrazine

Database IDs

• MDL Number: MFCD04612895
• PubChem SID: 164288306
• PubChem CID: 4995905

CALCULATED PROPERTIES

• Acid pKa: 18.847845
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3491594
• LogD (pH = 7.4): 1.375028
• Log P: 1.3753682
• Molar Refractivity: 76.9578 cm^3
• Polarizability: 29.458149 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 2.4

Product Information

• Purity: 95%