4-(benzenesulfonyl)-2-methylmorpholine

• ChemBase ID: 292741
• Molecular Formular: C11H15NO3S
• Molecular Mass: 241.3067
• Monoisotopic Mass: 241.07726435
• SMILES: CC1CN(CCO1)S(=O)(=O)c1ccccc1
• Canonical SMILES: CC1OCCN(C1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C11H15NO3S/c1-10-9-12(7-8-15-10)16(13,14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
• InChIKey: NTZHULXCPQDGSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzenesulfonyl)-2-methylmorpholine
• IUPAC Traditional name: 4-(benzenesulfonyl)-2-methylmorpholine
• Synonyms: 2-Methyl-4-(phenylsulfonyl)morpholine

Database IDs

• CAS Number: 1219152-02-9
• PubChem SID: 180678272
• PubChem CID: 51294924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2247033
• LogD (pH = 7.4): 1.2247033
• Log P: 1.2247033
• Molar Refractivity: 61.5026 cm^3
• Polarizability: 24.794176 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%