5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one

C11H11F3N2OS — CID 83251275

IUPAC5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC(F)(F)F)C(c2ccsc2)NC12CC2
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)6-16-8(7-1-4-18-5-7)15-10(2-3-10)9(16)17/h1,4-5,8,15H,2-3,6H2
InChIKeyCZDHRDMSPUNWMR-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.27
Rot. Bonds2

About 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one

5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83251275) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83251275
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC(F)(F)F)C(c2ccsc2)NC12CC2
InChIInChI=1S/C11H11F3N2OS/c12-11(13,14)6-16-8(7-1-4-18-5-7)15-10(2-3-10)9(16)17/h1,4-5,8,15H,2-3,6H2
InChIKeyCZDHRDMSPUNWMR-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one 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-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83251275) is 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC(F)(F)F)C(c2ccsc2)NC12CC2.
What is the InChIKey of 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CZDHRDMSPUNWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c12-11(13,14)6-16-8(7-1-4-18-5-7)15-10(2-3-10)9(16)17/h1,4-5,8,15H,2-3,6H2.
What are the key properties of 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 276.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83251275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).