3-(morpholin-4-yl)propane-1-sulfonyl chloride

• ChemBase ID: 814273
• Molecular Formular: C7H14ClNO3S
• Molecular Mass: 227.70896
• Monoisotopic Mass: 227.03829199
• SMILES: C(CCN1CCOCC1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)CCCN1CCOCC1
• InChI: InChI=1S/C7H14ClNO3S/c8-13(10,11)7-1-2-9-3-5-12-6-4-9/h1-7H2
• InChIKey: OSHRZGQSJOAQKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)propane-1-sulfonyl chloride
• IUPAC Traditional name: 3-(morpholin-4-yl)propane-1-sulfonyl chloride
• Synonyms: 3-morpholinopropane-1-sulfonyl chloride

Database IDs

• CAS Number: 103631-63-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2142321
• LogD (pH = 7.4): -0.18309599
• Log P: -0.18268423
• Molar Refractivity: 52.186 cm^3
• Polarizability: 21.298704 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%