1-(pyridine-3-sulfonyl)piperidine-4-carbohydrazide

• ChemBase ID: 279532
• Molecular Formular: C11H16N4O3S
• Molecular Mass: 284.33474
• Monoisotopic Mass: 284.09431139
• SMILES: S(=O)(=O)(N1CCC(C(=O)NN)CC1)c1cnccc1
• Canonical SMILES: NNC(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C11H16N4O3S/c12-14-11(16)9-3-6-15(7-4-9)19(17,18)10-2-1-5-13-8-10/h1-2,5,8-9H,3-4,6-7,12H2,(H,14,16)
• InChIKey: PPDMHYDQWLPNHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridine-3-sulfonyl)piperidine-4-carbohydrazide
• IUPAC Traditional name: 1-(pyridine-3-sulfonyl)piperidine-4-carbohydrazide
• Synonyms: 1-(pyridine-3-sulfonyl)piperidine-4-carbohydrazide

Database IDs

• MDL Number: MFCD20441561
• PubChem SID: 164335442
• PubChem CID: 54595317

CALCULATED PROPERTIES

• Acid pKa: 11.696773
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2238816
• LogD (pH = 7.4): -1.2214035
• Log P: -1.2213514
• Molar Refractivity: 70.5406 cm^3
• Polarizability: 27.74754 Å^3
• Polar Surface Area: 105.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.764

Product Information

• Purity: 95%