(1R)-1-[4-(morpholine-4-sulfonyl)phenyl]ethan-1-amine

• ChemBase ID: 280630
• Molecular Formular: C12H18N2O3S
• Molecular Mass: 270.34792
• Monoisotopic Mass: 270.10381345
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(cc1)[C@H](N)C
• Canonical SMILES: C[C@H](c1ccc(cc1)S(=O)(=O)N1CCOCC1)N
• InChI: InChI=1S/C12H18N2O3S/c1-10(13)11-2-4-12(5-3-11)18(15,16)14-6-8-17-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1
• InChIKey: BTHINPVZOYUHBK-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[4-(morpholine-4-sulfonyl)phenyl]ethan-1-amine
• IUPAC Traditional name: (1R)-1-[4-(morpholine-4-sulfonyl)phenyl]ethanamine
• Synonyms: (1R)-1-[4-(morpholin-4-ylsulfonyl)phenyl]ethanamine

Database IDs

• MDL Number: MFCD09863697
• PubChem SID: 180666161
• PubChem CID: 25324329

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.639596
• LogD (pH = 7.4): -1.7181513
• Log P: 0.35047174
• Molar Refractivity: 69.976 cm^3
• Polarizability: 28.153078 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.544

Product Information

• Purity: 95%