5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine

C10H14F3N3O2S2 — CID 61300567

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)7-15-1-3-16(4-2-15)20(17,18)9-5-8(14)6-19-9/h5-6H,1-4,7,14H2
InChIKeyRDSXLZWYXBZTMH-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.20
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine (PubChem CID 61300567) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine
PubChem CID61300567
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine
SMILESNc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C10H14F3N3O2S2/c11-10(12,13)7-15-1-3-16(4-2-15)20(17,18)9-5-8(14)6-19-9/h5-6H,1-4,7,14H2
InChIKeyRDSXLZWYXBZTMH-UHFFFAOYSA-N
XLogP1.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine (CID 61300567) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine is Nc1csc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The InChIKey is RDSXLZWYXBZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c11-10(12,13)7-15-1-3-16(4-2-15)20(17,18)9-5-8(14)6-19-9/h5-6H,1-4,7,14H2.
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylthiophen-3-amine has a molecular weight of 329.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 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]sulfonylthiophen-3-amine is sourced from PubChem (CID 61300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).