2,5-dimethylmorpholine-4-sulfonyl chloride

• ChemBase ID: 282842
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: S(=O)(=O)(N1CC(OCC1C)C)Cl
• Canonical SMILES: CC1OCC(N(C1)S(=O)(=O)Cl)C
• InChI: InChI=1S/C6H12ClNO3S/c1-5-4-11-6(2)3-8(5)12(7,9)10/h5-6H,3-4H2,1-2H3
• InChIKey: FGFHSVAFDFWLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylmorpholine-4-sulfonyl chloride
• IUPAC Traditional name: 2,5-dimethylmorpholine-4-sulfonyl chloride
• Synonyms: 2,5-dimethylmorpholine-4-sulfonyl chloride

Database IDs

• MDL Number: MFCD12134803
• PubChem SID: 180668373
• PubChem CID: 43544471

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41097006
• LogD (pH = 7.4): 0.41097006
• Log P: 0.41097006
• Molar Refractivity: 46.5834 cm^3
• Polarizability: 19.125359 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.648

Product Information

• Purity: 95%