3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one

C11H17NO2S — CID 165496141

IUPAC3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one
SMILESCCC1CCC(=O)CC1N1CCSC1=O
InChIInChI=1S/C11H17NO2S/c1-2-8-3-4-9(13)7-10(8)12-5-6-15-11(12)14/h8,10H,2-7H2,1H3
InChIKeyUXJHZKUEZIKZDB-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.30
Rot. Bonds2

About 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one

3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one (PubChem CID 165496141) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one
PubChem CID165496141
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one
SMILESCCC1CCC(=O)CC1N1CCSC1=O
InChIInChI=1S/C11H17NO2S/c1-2-8-3-4-9(13)7-10(8)12-5-6-15-11(12)14/h8,10H,2-7H2,1H3
InChIKeyUXJHZKUEZIKZDB-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one (CID 165496141) is 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one is CCC1CCC(=O)CC1N1CCSC1=O.
What is the InChIKey of 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one?
The InChIKey is UXJHZKUEZIKZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-8-3-4-9(13)7-10(8)12-5-6-15-11(12)14/h8,10H,2-7H2,1H3.
What are the key properties of 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one?
3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one has a molecular weight of 227.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-oxocyclohexyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 165496141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).