| CAS Number | 1000932-88-6 |
| Catalog Number | AG019LGE |
| Chemical Name | 4-[(2-aminoethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxamide |
| IUPAC Name | 4-(2-aminoethylsulfamoyl)-1-methylpyrrole-2-carboxamide |
| InChI | InChI=1S/C8H14N4O3S/c1-12-5-6(4-7(12)8(10)13)16(14,15)11-3-2-9/h4-5,11H,2-3,9H2,1H3,(H2,10,13) |
| InChI Key | BZDHQNOBMSRBAH-UHFFFAOYSA-N |
| MDL Number | MFCD09971413 |
| Molecular Formula | C8H14N4O3S |
| Molecular Weight | 246.2868 |
| SMILES | CN1C(C(N)=O)=CC(S(NCCN)(=O)=O)=C1 |
| Synonyms | 4-[(2-aminoethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxamide,
1000932-88-6,
4-{[(2-aminoethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxamide,
EN300-31175,
AC1Q3YRQ,
CTK7E9094,
ZINC20281999,
AKOS009164698,
MCULE-5670285410,
BC4157836,
Z425387620,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.285g/mol |
| Monoisotopic Mass | 246.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
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Certificate of Analysis
Lot Number