| CAS Number | 1016718-33-4 |
| Catalog Number | AG019UXD(AGN-PC-0WO4OD) |
| Chemical Name | N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide |
| IUPAC Name | N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide |
| InChI | InChI=1S/C10H14N2O2S/c1-15(13,14)12-10-6-2-5-9-8(10)4-3-7-11-9/h2,5-6,11-12H,3-4,7H2,1H3 |
| InChI Key | JVBNNKBPDNFJKC-UHFFFAOYSA-N |
| MDL Number | MFCD09810038 |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.2954 |
| SMILES | CS(NC1=C2C(NCCC2)=CC=C1)(=O)=O |
| Synonyms | N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide,
1016718-33-4,
AC1Q4GPF,
SCHEMBL4715825,
CTK7B4493,
DTXSID90602653,
ZINC19274113,
AKOS000151354,
NE53573,
EN300-43134,
AB00999658-01,
A800430,
Z444311306,
|
| Complexity | 310 |
| 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 | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number