3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one

C13H24N2O3S — CID 83243310

IUPAC3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-4-11-14-12(9(2)3)13(16)15(11)10-5-7-19(17,18)8-6-10/h9-12,14H,4-8H2,1-3H3
InChIKeyDJRABNNXQHSXBX-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.76
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one

3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83243310) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83243310
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-4-11-14-12(9(2)3)13(16)15(11)10-5-7-19(17,18)8-6-10/h9-12,14H,4-8H2,1-3H3
InChIKeyDJRABNNXQHSXBX-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244291
2-ethyl-5-propan-2-yl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83252466
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
CID 83245017
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
CID 83242202
3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83243465
3-(oxan-4-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256757
3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244541
3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
CID 83244035
3-(2,2-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83270665
3-cyclobutyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83254569
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one (CID 83243310) is 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)C(=O)N1C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is DJRABNNXQHSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-11-14-12(9(2)3)13(16)15(11)10-5-7-19(17,18)8-6-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 288.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83243310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).