5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile

C11H12F3N3O2S2 — CID 106268136

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H12F3N3O2S2/c12-11(13,14)8-16-3-5-17(6-4-16)21(18,19)10-2-1-9(7-15)20-10/h1-2H,3-6,8H2
InChIKeyCFLNHBGMSURQJO-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.49
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile (PubChem CID 106268136) has the molecular formula C11H12F3N3O2S2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile
PubChem CID106268136
Molecular FormulaC11H12F3N3O2S2
Molecular Weight339.36 g/mol
Exact Mass339.03
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H12F3N3O2S2/c12-11(13,14)8-16-3-5-17(6-4-16)21(18,19)10-2-1-9(7-15)20-10/h1-2H,3-6,8H2
InChIKeyCFLNHBGMSURQJO-UHFFFAOYSA-N
XLogP1.49
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(5-Methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 17476841
1-(5-Ethylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720682
1-(5-Methylthiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720683
1-[2-(Chloromethyl)thiophen-3-yl]sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 65776820
1-[5-(Chloromethyl)thiophen-2-yl]sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 65777211
N-(2-cyanoethyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 86819240
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267435
5-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267890
5-cyano-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267891
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 106268196

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile (CID 106268136) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile is N#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile?
The InChIKey is CFLNHBGMSURQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S2/c12-11(13,14)8-16-3-5-17(6-4-16)21(18,19)10-2-1-9(7-15)20-10/h1-2H,3-6,8H2.
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 106268136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).