4-[(6-hydrazinylpyridin-3-yl)sulfonyl]morpholine

• ChemBase ID: 256151
• Molecular Formular: C9H14N4O3S
• Molecular Mass: 258.29746
• Monoisotopic Mass: 258.07866133
• SMILES: S(=O)(=O)(N1CCOCC1)c1cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H14N4O3S/c10-12-9-2-1-8(7-11-9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,10H2,(H,11,12)
• InChIKey: SPTNFSBSDOSUTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-hydrazinylpyridin-3-yl)sulfonyl]morpholine
• IUPAC Traditional name: 4-(6-hydrazinylpyridin-3-ylsulfonyl)morpholine
• Synonyms: 4-[(6-hydrazinopyridin-3-yl)sulfonyl]morpholine

Database IDs

• MDL Number: MFCD06307860
• PubChem SID: 164312061
• PubChem CID: 5268114

CALCULATED PROPERTIES

• Acid pKa: 18.843641
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.44959742
• LogD (pH = 7.4): -0.42378342
• Log P: -0.42344403
• Molar Refractivity: 64.9471 cm^3
• Polarizability: 24.703856 Å^3
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.067

Product Information

• Purity: 95%