5-(morpholine-4-sulfonyl)pyridin-2-amine

• ChemBase ID: 114790
• Molecular Formular: C9H13N3O3S
• Molecular Mass: 243.28282
• Monoisotopic Mass: 243.06776229
• SMILES: S(=O)(=O)(N1CCOCC1)c1cnc(cc1)N
• Canonical SMILES: Nc1ccc(cn1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H13N3O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
• InChIKey: YFLUKCFVYCDJCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholine-4-sulfonyl)pyridin-2-amine
• IUPAC Traditional name: 5-(morpholine-4-sulfonyl)pyridin-2-amine
• Synonyms: 5-(Morpholine-4-sulfonyl)-pyridin-2-ylamine

Database IDs

• MDL Number: MFCD06307828
• PubChem SID: 162100225
• PubChem CID: 5268062

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6446514
• LogD (pH = 7.4): -0.6440206
• Log P: -0.6440126
• Molar Refractivity: 59.9408 cm^3
• Polarizability: 23.27229 Å^3
• Polar Surface Area: 85.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.282

Product Information

• Purity: 95+%