2-[(morpholine-4-sulfonyl)amino]ethan-1-ol

• ChemBase ID: 272344
• Molecular Formular: C6H14N2O4S
• Molecular Mass: 210.25136
• Monoisotopic Mass: 210.06742794
• SMILES: S(=O)(=O)(N1CCOCC1)NCCO
• Canonical SMILES: OCCNS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C6H14N2O4S/c9-4-1-7-13(10,11)8-2-5-12-6-3-8/h7,9H,1-6H2
• InChIKey: SARDRHULSBYWEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(morpholine-4-sulfonyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(morpholine-4-sulfonyl)amino]ethanol
• Synonyms: 2-[(morpholine-4-sulfonyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD12185471
• PubChem SID: 164328254
• PubChem CID: 43502087

CALCULATED PROPERTIES

• Acid pKa: 10.427276
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2288828
• LogD (pH = 7.4): -2.2292392
• Log P: -2.2288783
• Molar Refractivity: 46.8985 cm^3
• Polarizability: 19.367298 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.821

Product Information

• Purity: 95%