2-methylmorpholine-4-sulfonyl chloride

• ChemBase ID: 282783
• Molecular Formular: C5H10ClNO3S
• Molecular Mass: 199.6558
• Monoisotopic Mass: 199.00699187
• SMILES: S(=O)(=O)(N1CC(OCC1)C)Cl
• Canonical SMILES: CC1OCCN(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H10ClNO3S/c1-5-4-7(2-3-10-5)11(6,8)9/h5H,2-4H2,1H3
• InChIKey: FYKOGVZTHAJLMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylmorpholine-4-sulfonyl chloride
• IUPAC Traditional name: 2-methylmorpholine-4-sulfonyl chloride
• Synonyms: 2-methylmorpholine-4-sulfonyl chloride

Database IDs

• MDL Number: MFCD09732260
• PubChem SID: 180668314
• PubChem CID: 16785517

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0056049544
• LogD (pH = 7.4): -0.0056049544
• Log P: -0.0056049544
• Molar Refractivity: 42.1646 cm^3
• Polarizability: 17.317255 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.128

Product Information

• Purity: 95%