1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

C11H15F3N2O2S2 — CID 131888913

IUPAC1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C11H15F3N2O2S2/c1-9-6-10(19-7-9)20(17,18)16-4-2-15(3-5-16)8-11(12,13)14/h6-7H,2-5,8H2,1H3
InChIKeyJJOGXHSVBSAGSH-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine

1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 131888913) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID131888913
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC Name1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C11H15F3N2O2S2/c1-9-6-10(19-7-9)20(17,18)16-4-2-15(3-5-16)8-11(12,13)14/h6-7H,2-5,8H2,1H3
InChIKeyJJOGXHSVBSAGSH-UHFFFAOYSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine (CID 131888913) is 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is Cc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is JJOGXHSVBSAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-9-6-10(19-7-9)20(17,18)16-4-2-15(3-5-16)8-11(12,13)14/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 328.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 131888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).