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1087784-54-0 | 3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CAS No: 1087784-54-0 Catalog No: AG019MZZ MDL No:MFCD11099620
Product Description
Catalog Number:
AG019MZZ
Chemical Name:
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
CAS Number:
1087784-54-0
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD11099620
IUPAC Name:
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
InChI:
InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)
InChI Key:
UVJPSTJAUUZEKC-UHFFFAOYSA-N
SMILES:
CC1CNc2c(C1)cccc2S(=O)(=O)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. | Journal of medicinal chemistry 20160324 |
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