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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Related Compounds

4-ethyl-3-iodocyclohexan-1-one
CID 165497006
4-ethyl-3-(methoxymethyl)cyclohexan-1-one
CID 165497179
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
2-(2-ethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944625
4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
CID 165492165
(2R)-2-ethyl-1-methylpiperidin-4-one
CID 143740711
4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
CID 61470304
1-(2-ethylcyclohexyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64964362
3-cyclobutyl-4-propylcyclohexan-1-one
CID 165496459
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 13457870
3-tert-butyl-1-(2-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64964278

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).