2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one

C11H20N2OS — CID 103065473

IUPAC2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1NC(CC)N(C2CCSC2)C1=O
InChIInChI=1S/C11H20N2OS/c1-3-9-11(14)13(10(4-2)12-9)8-5-6-15-7-8/h8-10,12H,3-7H2,1-2H3
InChIKeyQYMFCWOOJFEWFN-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.44
Rot. Bonds3

About 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one

2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one (PubChem CID 103065473) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one
PubChem CID103065473
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one
SMILESCCC1NC(CC)N(C2CCSC2)C1=O
InChIInChI=1S/C11H20N2OS/c1-3-9-11(14)13(10(4-2)12-9)8-5-6-15-7-8/h8-10,12H,3-7H2,1-2H3
InChIKeyQYMFCWOOJFEWFN-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065521
3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
2,5-diethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidin-4-one
CID 83263928
2,5-diethyl-3-(2-ethylcyclohexyl)imidazolidin-4-one
CID 83249976
3-cyclooctyl-2-ethyl-5-propylimidazolidin-4-one
CID 83238796
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
CID 83242202
5-ethyl-3-(3-methylcyclopentyl)-2-propylimidazolidin-4-one
CID 114552240
2-ethyl-3-(oxan-4-yl)-5-propylimidazolidin-4-one
CID 83256508
5-butyl-2-ethyl-3-(4-methylcyclohexyl)imidazolidin-4-one
CID 83238921
3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
CID 83244035
5-benzyl-3-cyclopropyl-2-ethylimidazolidin-4-one
CID 83242720
5-butyl-2-ethyl-3-(4-hydroxycyclohexyl)imidazolidin-4-one
CID 83239492

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The IUPAC name of 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one (CID 103065473) is 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The canonical SMILES for 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one is CCC1NC(CC)N(C2CCSC2)C1=O.
What is the InChIKey of 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one?
The InChIKey is QYMFCWOOJFEWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-9-11(14)13(10(4-2)12-9)8-5-6-15-7-8/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one?
2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one has a molecular weight of 228.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(thiolan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 103065473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).