4-(pyridine-3-sulfonyl)morpholine

• ChemBase ID: 90568
• Molecular Formular: C9H12N2O3S
• Molecular Mass: 228.26818
• Monoisotopic Mass: 228.05686325
• SMILES: S(=O)(=O)(c1cccnc1)N1CCOCC1
• Canonical SMILES: O=S(=O)(c1cccnc1)N1CCOCC1
• InChI: InChI=1S/C9H12N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h1-3,8H,4-7H2
• InChIKey: BYBGTJZHRACDCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridine-3-sulfonyl)morpholine
• IUPAC Traditional name: 4-(pyridine-3-sulfonyl)morpholine
• Synonyms: 4-(Pyridin-3-ylsulphonyl)morpholine 98%; 4-(Pyridin-3-ylsulfonyl)morpholine

Database IDs

• CAS Number: 26103-48-0
• MDL Number: MFCD00090297
• PubChem SID: 162077365
• PubChem CID: 4276436

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.40955904
• LogD (pH = 7.4): -0.40954435
• Log P: -0.40954417
• Molar Refractivity: 54.9269 cm^3
• Polarizability: 22.1077 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%