3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one

C12H16N2O3S2 — CID 83244118

IUPAC3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16N2O3S2/c15-11-8-13-12(10-2-1-5-18-10)14(11)9-3-6-19(16,17)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2
InChIKeyGTUQEVFBKFGEPL-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.76
Rot. Bonds2

About 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one

3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83244118) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83244118
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16N2O3S2/c15-11-8-13-12(10-2-1-5-18-10)14(11)9-3-6-19(16,17)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2
InChIKeyGTUQEVFBKFGEPL-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83244118) is 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one is O=C1CNC(c2cccs2)N1C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is GTUQEVFBKFGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c15-11-8-13-12(10-2-1-5-18-10)14(11)9-3-6-19(16,17)7-4-9/h1-2,5,9,12-13H,3-4,6-8H2.
What are the key properties of 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 300.40 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83244118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).