(1S)-1-[4-(morpholine-4-sulfonyl)phenyl]ethan-1-ol

• ChemBase ID: 280628
• Molecular Formular: C12H17NO4S
• Molecular Mass: 271.33268
• Monoisotopic Mass: 271.08782903
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(cc1)[C@@H](O)C
• Canonical SMILES: C[C@@H](c1ccc(cc1)S(=O)(=O)N1CCOCC1)O
• InChI: InChI=1S/C12H17NO4S/c1-10(14)11-2-4-12(5-3-11)18(15,16)13-6-8-17-9-7-13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1
• InChIKey: RUOCEIMBBZEJTK-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-[4-(morpholine-4-sulfonyl)phenyl]ethan-1-ol
• IUPAC Traditional name: (1S)-1-[4-(morpholine-4-sulfonyl)phenyl]ethanol
• Synonyms: (1S)-1-[4-(morpholin-4-ylsulfonyl)phenyl]ethanol

Database IDs

• MDL Number: MFCD09863695
• PubChem SID: 180666159
• PubChem CID: 25324324

CALCULATED PROPERTIES

• Acid pKa: 14.626402
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.45735353
• LogD (pH = 7.4): 0.4573535
• Log P: 0.45735353
• Molar Refractivity: 68.3185 cm^3
• Polarizability: 27.27573 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.554

Product Information

• Purity: 95%