5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

C13H25N3OS — CID 106327052

IUPAC5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CCN1CCSCC1
InChIInChI=1S/C13H25N3OS/c1-3-4-12-14-11(2)13(17)16(12)6-5-15-7-9-18-10-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyTZTKQEDZUNXLFG-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.98
Rot. Bonds5

About 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (PubChem CID 106327052) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
PubChem CID106327052
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CCN1CCSCC1
InChIInChI=1S/C13H25N3OS/c1-3-4-12-14-11(2)13(17)16(12)6-5-15-7-9-18-10-8-15/h11-12,14H,3-10H2,1-2H3
InChIKeyTZTKQEDZUNXLFG-UHFFFAOYSA-N
XLogP0.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-2,3-dipropylimidazolidin-4-one
CID 83242080
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-propylimidazolidin-4-one
CID 114517126
3-(2-piperidin-1-ylethyl)-2,5-dipropylimidazolidin-4-one
CID 83244837
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-methyl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767695
3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
CID 83246899
5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327103
5-methyl-3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247451
5-ethyl-2,5-dimethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327150
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83259028
3-tert-butyl-6-methyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326406
2-ethyl-5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazolidin-4-one
CID 114517098

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (CID 106327052) is 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is CCCC1NC(C)C(=O)N1CCN1CCSCC1.
What is the InChIKey of 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The InChIKey is TZTKQEDZUNXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-3-4-12-14-11(2)13(17)16(12)6-5-15-7-9-18-10-8-15/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one has a molecular weight of 271.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 106327052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).