| CAS Number | 1314929-01-5 |
| Catalog Number | AG00HSHS(AGN-PC-0WNQSE) |
| Chemical Name | 1-Ethanesulfonyl-3-methyl-piperazine |
| IUPAC Name | 1-ethylsulfonyl-3-methylpiperazine |
| InChI | InChI=1S/C7H16N2O2S/c1-3-12(10,11)9-5-4-8-7(2)6-9/h7-8H,3-6H2,1-2H3 |
| InChI Key | LTMHYXIOUFANLF-UHFFFAOYSA-N |
| MDL Number | MFCD07369705 |
| Molecular Formula | C7H16N2O2S |
| Molecular Weight | 192.2791 |
| SMILES | CCS(N1CC(C)NCC1)(=O)=O |
| Synonyms | 1-Ethanesulfonyl-3-methyl-piperazine,
1314929-01-5,
(3R)-1-(ethanesulfonyl)-3-methylpiperazine,
1604430-35-4,
SCHEMBL13724741,
MFCD07369705,
AKOS006287021,
AS-11254,
M-3733,
C7H16N2O2S,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.277g/mol |
| Monoisotopic Mass | 192.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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