6-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 250769
• Molecular Formular: C13H18N2O3S
• Molecular Mass: 282.35862
• Monoisotopic Mass: 282.10381345
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc2c(NCCC2)cc1
• Canonical SMILES: O=S(=O)(c1ccc2c(c1)CCCN2)N1CCOCC1
• InChI: InChI=1S/C13H18N2O3S/c16-19(17,15-6-8-18-9-7-15)12-3-4-13-11(10-12)2-1-5-14-13/h3-4,10,14H,1-2,5-9H2
• InChIKey: KAMNGGDTVUTTBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-(morpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD07686082
• PubChem SID: 164306679
• PubChem CID: 7064081

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.763542
• LogD (pH = 7.4): 0.76534057
• Log P: 0.7653636
• Molar Refractivity: 75.1882 cm^3
• Polarizability: 28.8229 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 1.866

Product Information

• Purity: 95%