ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

C11H16N2O5S — CID 154108314

IUPACethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(=O)N(CC(=O)OCC)C1=S
InChIInChI=1S/C11H16N2O5S/c1-3-17-9(15)6-12-5-8(14)13(11(12)19)7-10(16)18-4-2/h3-7H2,1-2H3
InChIKeyNIPFMGXAZSVGTD-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.46
Rot. Bonds6

About ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate (PubChem CID 154108314) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
PubChem CID154108314
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(=O)N(CC(=O)OCC)C1=S
InChIInChI=1S/C11H16N2O5S/c1-3-17-9(15)6-12-5-8(14)13(11(12)19)7-10(16)18-4-2/h3-7H2,1-2H3
InChIKeyNIPFMGXAZSVGTD-UHFFFAOYSA-N
XLogP-0.46
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
CID 82778065
ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 43242890
ethyl 2-[4-(cyclohexylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-1-yl]acetate
CID 71449232
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 15096135
ethyl 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98176611
ethyl 2-[[3-(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carbonyl]amino]acetate
CID 155490328
ethyl 2-[3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl]acetate
CID 3130266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate (CID 154108314) is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate is CCOC(=O)CN1CC(=O)N(CC(=O)OCC)C1=S.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate?
The InChIKey is NIPFMGXAZSVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-3-17-9(15)6-12-5-8(14)13(11(12)19)7-10(16)18-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate has a molecular weight of 288.32 g/mol, XLogP of -0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate is sourced from PubChem (CID 154108314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).