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

• ChemBase ID: 34257
• Molecular Formular: C9H14N2O3S2
• Molecular Mass: 262.34906
• Monoisotopic Mass: 262.04458432
• SMILES: S(=O)(=O)(c1c(scc1)CN)N1CCOCC1
• Canonical SMILES: NCc1sccc1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H14N2O3S2/c10-7-8-9(1-6-15-8)16(12,13)11-2-4-14-5-3-11/h1,6H,2-5,7,10H2
• InChIKey: ZFHMDFJDXBKLAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine
• IUPAC Traditional name: [3-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine
• Synonyms: [3-(Morpholin-4-ylsulfonyl)thien-2-yl]methylamine

Database IDs

• MDL Number: MFCD09455204
• PubChem SID: 160997564
• PubChem CID: 17221121

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3269277
• LogD (pH = 7.4): -0.6526798
• Log P: -0.15322192
• Molar Refractivity: 62.4471 cm^3
• Polarizability: 25.077375 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false