T1V

1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one

Created:	2020-03-16
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where T1V is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	5

2D diagram of T1V

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
Formula	C₁₀ H₁₄ N₂ O₃ S₂
Molecular Weight	274.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCN(CC1)C(C)=O)S(c2cccs2)(=O)=O
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2sccc2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2sccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2
InChI	InChI	1.03	InChI=1S/C10H14N2O3S2/c1-9(13)11-4-6-12(7-5-11)17(14,15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
InChIKey	InChI	1.03	YYXLVWKAHWXWTR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3759658

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.