2-(morpholine-4-sulfonyl)ethan-1-amine

• ChemBase ID: 117280
• Molecular Formular: C6H14N2O3S
• Molecular Mass: 194.25196
• Monoisotopic Mass: 194.07251332
• SMILES: S(=O)(=O)(N1CCOCC1)CCN
• Canonical SMILES: NCCS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C6H14N2O3S/c7-1-6-12(9,10)8-2-4-11-5-3-8/h1-7H2
• InChIKey: OINANNBISYKCNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-sulfonyl)ethan-1-amine
• IUPAC Traditional name: 2-(morpholine-4-sulfonyl)ethanamine
• Synonyms: 2-(Morpholine-4-sulfonyl)-ethylamine

Database IDs

• CAS Number: 173336-66-8
• MDL Number: MFCD08061826
• PubChem SID: 162102472
• PubChem CID: 16767330

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.640066
• LogD (pH = 7.4): -3.033518
• Log P: -1.9511924
• Molar Refractivity: 45.0084 cm^3
• Polarizability: 18.678053 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -2.352

Product Information

• Purity: 95+%