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

C13H24N2O3S — CID 83244035

IUPAC3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-3-5-12-14-11(4-2)13(16)15(12)10-6-8-19(17,18)9-7-10/h10-12,14H,3-9H2,1-2H3
InChIKeyRIYIYAAJFIMSIH-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.90
Rot. Bonds4

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

3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one (PubChem CID 83244035) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
PubChem CID83244035
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(CC)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-3-5-12-14-11(4-2)13(16)15(12)10-6-8-19(17,18)9-7-10/h10-12,14H,3-9H2,1-2H3
InChIKeyRIYIYAAJFIMSIH-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one (CID 83244035) is 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one is CCCC1NC(CC)C(=O)N1C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one?
The InChIKey is RIYIYAAJFIMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-12-14-11(4-2)13(16)15(12)10-6-8-19(17,18)9-7-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one has a molecular weight of 288.41 g/mol, XLogP of 0.90, 4 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)-5-ethyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83244035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).