T1V

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

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

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count5
2D diagram of T1V

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Chemical Component Summary

Name1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
FormulaC10 H14 N2 O3 S2
Molecular Weight274.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCN(CC1)C(C)=O)S(c2cccs2)(=O)=O
SMILESCACTVS3.385CC(=O)N1CCN(CC1)[S](=O)(=O)c2sccc2
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2
Canonical SMILESCACTVS3.385 CC(=O)N1CCN(CC1)[S](=O)(=O)c2sccc2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2
InChIInChI1.03 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
InChIKeyInChI1.03 YYXLVWKAHWXWTR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3759658