(4-methanesulfonylmorpholin-2-yl)methanamine

• ChemBase ID: 308847
• Molecular Formular: C6H14N2O3S
• Molecular Mass: 194.25196
• Monoisotopic Mass: 194.07251332
• SMILES: S(=O)(=O)(N1CC(OCC1)CN)C
• Canonical SMILES: NCC1OCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C6H14N2O3S/c1-12(9,10)8-2-3-11-6(4-7)5-8/h6H,2-5,7H2,1H3
• InChIKey: JYDKRSKRMGGEBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methanesulfonylmorpholin-2-yl)methanamine
• IUPAC Traditional name: (4-methanesulfonylmorpholin-2-yl)methanamine
• Synonyms: 1-[4-(methylsulfonyl)-2-morpholinyl]methanamine

Database IDs

• CAS Number: 1017139-63-7
• MDL Number: MFCD09892349

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.9596133
• LogD (pH = 7.4): -3.677991
• Log P: -2.0436146
• Molar Refractivity: 44.5548 cm^3
• Polarizability: 18.678053 Å^3
• Polar Surface Area: 72.63 Å^2