5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

C13H25N3OS — CID 106327150

IUPAC5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C13H25N3OS/c1-4-13(3)12(17)16(11(2)14-13)6-5-15-7-9-18-10-8-15/h11,14H,4-10H2,1-3H3
InChIKeySSDWZZSHPNUNJF-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.98
Rot. Bonds4

About 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (PubChem CID 106327150) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
PubChem CID106327150
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(C)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C13H25N3OS/c1-4-13(3)12(17)16(11(2)14-13)6-5-15-7-9-18-10-8-15/h11,14H,4-10H2,1-3H3
InChIKeySSDWZZSHPNUNJF-UHFFFAOYSA-N
XLogP0.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114173990
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83264810
5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83260814
5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252393
5-ethyl-5-methyl-2-propyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252241
5-ethyl-2,5-dimethyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254520
3-(2,2-difluoroethyl)-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83260245
5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327052
5-ethyl-2,5-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl]imidazolidin-4-one
CID 114140888
8-methyl-9-(2-thiomorpholin-4-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106326405
5-ethyl-2,5-dimethyl-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065491
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244839

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (CID 106327150) is 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is CCC1(C)NC(C)N(CCN2CCSCC2)C1=O.
What is the InChIKey of 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The InChIKey is SSDWZZSHPNUNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-13(3)12(17)16(11(2)14-13)6-5-15-7-9-18-10-8-15/h11,14H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one has a molecular weight of 271.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 106327150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).