[5-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine

• ChemBase ID: 255448
• Molecular Formular: C9H14N2O3S2
• Molecular Mass: 262.34906
• Monoisotopic Mass: 262.04458432
• SMILES: S(=O)(=O)(c1sc(cc1)CN)N1CCOCC1
• Canonical SMILES: NCc1ccc(s1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H14N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-7,10H2
• InChIKey: BSEDTVGOTNKFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine
• IUPAC Traditional name: [5-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine
• Synonyms: [5-(morpholin-4-ylsulfonyl)thien-2-yl]methylamine

Database IDs

• MDL Number: MFCD08444366
• PubChem SID: 164311358
• PubChem CID: 16227260

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.367667
• LogD (pH = 7.4): -0.6733707
• Log P: 0.012774046
• Molar Refractivity: 61.607 cm^3
• Polarizability: 25.084917 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.044

Product Information

• Purity: 95%