2-[(2,6-dimethylmorpholin-4-yl)sulfonyl]ethan-1-amine

• ChemBase ID: 257250
• Molecular Formular: C8H18N2O3S
• Molecular Mass: 222.30512
• Monoisotopic Mass: 222.10381345
• SMILES: S(=O)(=O)(N1CC(OC(C1)C)C)CCN
• Canonical SMILES: NCCS(=O)(=O)N1CC(C)OC(C1)C
• InChI: InChI=1S/C8H18N2O3S/c1-7-5-10(6-8(2)13-7)14(11,12)4-3-9/h7-8H,3-6,9H2,1-2H3
• InChIKey: ZNZUUGNAXHZIDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,6-dimethylmorpholin-4-yl)sulfonyl]ethan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-ylsulfonyl)ethanamine
• Synonyms: 2-[(2,6-dimethylmorpholin-4-yl)sulfonyl]ethanamine

Database IDs

• MDL Number: MFCD09041993
• PubChem SID: 164313160
• PubChem CID: 42935473

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8069158
• LogD (pH = 7.4): -2.200368
• Log P: -1.1180423
• Molar Refractivity: 53.846 cm^3
• Polarizability: 22.32754 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 0.467

Product Information

• Purity: 95%