2,2-dimethylmorpholine-4-sulfonyl chloride

• ChemBase ID: 247525
• Molecular Formular: C6H12ClNO3S
• Molecular Mass: 213.68238
• Monoisotopic Mass: 213.02264193
• SMILES: S(=O)(=O)(N1CC(OCC1)(C)C)Cl
• Canonical SMILES: CC1(C)OCCN(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H12ClNO3S/c1-6(2)5-8(3-4-11-6)12(7,9)10/h3-5H2,1-2H3
• InChIKey: ABJVXCWLNPDPCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12080760
• PubChem SID: 164303435
• PubChem CID: 43592702

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27497172
• LogD (pH = 7.4): 0.27497172
• Log P: 0.27497172
• Molar Refractivity: 46.8028 cm^3
• Polarizability: 19.125319 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%