3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one

C14H20N2O3S2 — CID 83266746

IUPAC3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CC2CCCS2(=O)=O)C1=O
InChIInChI=1S/C14H20N2O3S2/c1-2-12-14(17)16(8-11-4-3-7-21(11,18)19)13(15-12)10-5-6-20-9-10/h5-6,9,11-13,15H,2-4,7-8H2,1H3
InChIKeySXHHMZDJIQYHRC-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.53
Rot. Bonds4

About 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one

3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83266746) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83266746
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(CC2CCCS2(=O)=O)C1=O
InChIInChI=1S/C14H20N2O3S2/c1-2-12-14(17)16(8-11-4-3-7-21(11,18)19)13(15-12)10-5-6-20-9-10/h5-6,9,11-13,15H,2-4,7-8H2,1H3
InChIKeySXHHMZDJIQYHRC-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one with MolForge

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Related Compounds

5-ethyl-3-[(1-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83258168
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
5-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83245993
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977
1-[(1,1-dioxothiolan-2-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 81039757
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263809

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one (CID 83266746) is 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one is CCC1NC(c2ccsc2)N(CC2CCCS2(=O)=O)C1=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is SXHHMZDJIQYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-2-12-14(17)16(8-11-4-3-7-21(11,18)19)13(15-12)10-5-6-20-9-10/h5-6,9,11-13,15H,2-4,7-8H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one?
3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-ethyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83266746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).