1-[(3-Methylphenyl)sulfonyl]piperazine - CAS 877964-50-6
Catalog: |
BB038638 |
Product Name: |
1-[(3-Methylphenyl)sulfonyl]piperazine |
CAS: |
877964-50-6 |
Synonyms: |
1-(3-methylphenyl)sulfonylpiperazine; 1-(3-methylphenyl)sulfonylpiperazine |
IUPAC Name: | 1-(3-methylphenyl)sulfonylpiperazine |
Description: | 1-[(3-Methylphenyl)sulfonyl]piperazine (CAS# 877964-50-6 ) is a useful research chemical. |
Molecular Weight: | 240.32 |
Molecular Formula: | C11H16N2O2S |
Canonical SMILES: | CC1=CC(=CC=C1)S(=O)(=O)N2CCNCC2 |
InChI: | InChI=1S/C11H16N2O2S/c1-10-3-2-4-11(9-10)16(14,15)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3 |
InChI Key: | NQUFUYGHYMSRSO-UHFFFAOYSA-N |
LogP: | 1.93640 |
Publication Number | Title | Priority Date |
WO-2017177838-A1 | Substituted 2,4-(1h, 3h)-pyrimidinedione as parp inhibitor and use thereof | 20160411 |
CN-107286174-B | Substituted 2,4- (1H,3H) pyrimidinedione as PARP inhibitor and application thereof | 20160411 |
US-2010119479-A1 | Therapeutic antiviral peptides | 20081015 |
WO-2007056023-A2 | Thiazole inhibitors targeting resistant kinase mutations | 20051102 |
WO-2007056075-A2 | Six membered heteroaromatic inhibitors targeting resistant kinase mutations | 20051102 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.09324893 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.09324893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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