2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione

C9H15NO2S — CID 130005541

IUPAC2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione
SMILESCCC1(C(C)C)SCC(=O)NC1=O
InChIInChI=1S/C9H15NO2S/c1-4-9(6(2)3)8(12)10-7(11)5-13-9/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyHOEVCDCJYIYHCZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.18
Rot. Bonds2

About 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione

2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione (PubChem CID 130005541) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione.

Molecular Properties

Compound Name2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione
PubChem CID130005541
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione
SMILESCCC1(C(C)C)SCC(=O)NC1=O
InChIInChI=1S/C9H15NO2S/c1-4-9(6(2)3)8(12)10-7(11)5-13-9/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyHOEVCDCJYIYHCZ-UHFFFAOYSA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-thiazolidin-4-one
CID 637592
2-propylthiomorpholine-3,5-dione
CID 173033584
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CID 71423308
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173338216
potassium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173254266
5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate
CID 3867239
sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
CID 173189640
5-(2-methylpropyl)-5-propan-2-ylthiomorpholin-3-one
CID 58238927
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
3-ethyl-3-thiophen-2-ylpiperidine-2,6-dione
CID 16639181
2-ethyl-2-propan-2-ylcyclobutan-1-one
CID 134922592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione?
The IUPAC name of 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione (CID 130005541) is 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione.
What is the SMILES notation for 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione?
The canonical SMILES for 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione is CCC1(C(C)C)SCC(=O)NC1=O.
What is the InChIKey of 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione?
The InChIKey is HOEVCDCJYIYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-9(6(2)3)8(12)10-7(11)5-13-9/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione?
2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione has a molecular weight of 201.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione is sourced from PubChem (CID 130005541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).