4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one

C7H14N2OS — CID 116979829

IUPAC4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCCC1CN(CCS)C(=O)N1
InChIInChI=1S/C7H14N2OS/c1-2-6-5-9(3-4-11)7(10)8-6/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyRJEBLJOXYGXZEJ-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.72
Rot. Bonds3

About 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one

4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116979829) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116979829
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCCC1CN(CCS)C(=O)N1
InChIInChI=1S/C7H14N2OS/c1-2-6-5-9(3-4-11)7(10)8-6/h6,11H,2-5H2,1H3,(H,8,10)
InChIKeyRJEBLJOXYGXZEJ-UHFFFAOYSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
4-ethyl-1-[2-(4-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116980731
1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
CID 116979406
1-tert-butyl-4-ethylimidazolidin-2-one
CID 146336737
1-(3-oxobutyl)-4-propylimidazolidin-2-one
CID 116980526
1-[2-(methylamino)ethyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116978233
1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one
CID 116978849
(4S)-4-benzyl-1-butylimidazolidin-2-one
CID 102070726
1-(2-piperidin-2-ylethyl)-4-propylimidazolidin-2-one
CID 116980617
4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979888
2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
CID 116979754
4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116979829) is 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one is CCC1CN(CCS)C(=O)N1.
What is the InChIKey of 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is RJEBLJOXYGXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-2-6-5-9(3-4-11)7(10)8-6/h6,11H,2-5H2,1H3,(H,8,10).
What are the key properties of 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one?
4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 174.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116979829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).