3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C14H20N2O3S2 — CID 83237132

IUPAC3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H20N2O3S2/c1-2-4-11-14(17)16(10-6-8-21(18,19)9-10)13(15-11)12-5-3-7-20-12/h3,5,7,10-11,13,15H,2,4,6,8-9H2,1H3
InChIKeyBNVCBNTVIDVTST-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.53
Rot. Bonds4

About 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83237132) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83237132
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C14H20N2O3S2/c1-2-4-11-14(17)16(10-6-8-21(18,19)9-10)13(15-11)12-5-3-7-20-12/h3,5,7,10-11,13,15H,2,4,6,8-9H2,1H3
InChIKeyBNVCBNTVIDVTST-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83237132) is 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(C2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is BNVCBNTVIDVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-2-4-11-14(17)16(10-6-8-21(18,19)9-10)13(15-11)12-5-3-7-20-12/h3,5,7,10-11,13,15H,2,4,6,8-9H2,1H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-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-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83237132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).