| CAS Number | 1094812-28-8 |
| Catalog Number | AG01AKEK |
| Chemical Name | 3-amino-N-cyclopropyl-2,6-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C11H16N2O2S/c1-7-3-6-10(12)8(2)11(7)16(14,15)13-9-4-5-9/h3,6,9,13H,4-5,12H2,1-2H3 |
| InChI Key | SAPGDQDJKIWRMU-UHFFFAOYSA-N |
| MDL Number | MFCD11621433 |
| Molecular Formula | C11H16N2O2S |
| Molecular Weight | 240.3219 |
| SMILES | CC1=C(S(NC2CC2)(=O)=O)C(C)=C(N)C=C1 |
| Synonyms | 3-amino-N-cyclopropyl-2,6-dimethylbenzene-1-sulfonamide,
1094812-28-8,
ZINC37054582,
AKOS009408247,
MCULE-2129840750,
NE36820,
EN300-83877,
Z1250132659,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.321g/mol |
| Monoisotopic Mass | 240.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number