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

C12H23N3OS — CID 106327103

IUPAC5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCCC1NCN(CCN2CCSCC2)C1=O
InChIInChI=1S/C12H23N3OS/c1-2-3-11-12(16)15(10-13-11)5-4-14-6-8-17-9-7-14/h11,13H,2-10H2,1H3
InChIKeyJLCSARADPJBKHS-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.59
Rot. Bonds5

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

5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (PubChem CID 106327103) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
PubChem CID106327103
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCCC1NCN(CCN2CCSCC2)C1=O
InChIInChI=1S/C12H23N3OS/c1-2-3-11-12(16)15(10-13-11)5-4-14-6-8-17-9-7-14/h11,13H,2-10H2,1H3
InChIKeyJLCSARADPJBKHS-UHFFFAOYSA-N
XLogP0.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
5-butyl-3-decylimidazolidin-4-one
CID 83270318
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327052
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-(2-cyclohexyloxyethyl)-5-propylimidazolidin-4-one
CID 83264767
3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
CID 83248232
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83251625
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839
3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 114173849

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (CID 106327103) is 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is CCCC1NCN(CCN2CCSCC2)C1=O.
What is the InChIKey of 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The InChIKey is JLCSARADPJBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-2-3-11-12(16)15(10-13-11)5-4-14-6-8-17-9-7-14/h11,13H,2-10H2,1H3.
What are the key properties of 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one has a molecular weight of 257.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 106327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).