| CAS Number | 893727-64-5 |
| Catalog Number | AG01A0SE |
| Chemical Name | 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine |
| IUPAC Name | 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine |
| InChI | InChI=1S/C9H16N4O2S/c1-8-11-9(7-12(8)2)16(14,15)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3 |
| InChI Key | ZRHCFFKAPVSHBU-UHFFFAOYSA-N |
| MDL Number | MFCD07364373 |
| Molecular Formula | C9H16N4O2S |
| Molecular Weight | 244.3139 |
| SMILES | CC1N(C)C=C(S(N2CCNCC2)(=O)=O)N=1 |
| Synonyms | 1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine,
893727-64-5,
1-((1,2-Dimethyl-1H-imidazol-4-yl)sulfonyl)piperazine,
1,2-dimethyl-4-(piperazinylsulfonyl)imidazole,
1-(1,2-Dimethyl-1H-imidazole-4-sulfonyl) piperazine,
SBB041032,
STL227784,
ZINC36724804,
AKOS000269697,
MCULE-2348782850,
NE31808,
ST45174816,
1-(1,2-Dimethyl-1H-imidazole-4-sulfonyl)piperazine,
Z1575082048,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.313g/mol |
| Monoisotopic Mass | 244.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number