5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

C15H29N3OS — CID 106327137

IUPAC5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C15H29N3OS/c1-4-12(3)14-15(19)18(13(5-2)16-14)7-6-17-8-10-20-11-9-17/h12-14,16H,4-11H2,1-3H3
InChIKeyDMUYVTANZMSWPJ-UHFFFAOYSA-N
MW299.48 g/mol
LogP1.62
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (PubChem CID 106327137) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
PubChem CID106327137
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCN2CCSCC2)C1=O
InChIInChI=1S/C15H29N3OS/c1-4-12(3)14-15(19)18(13(5-2)16-14)7-6-17-8-10-20-11-9-17/h12-14,16H,4-11H2,1-3H3
InChIKeyDMUYVTANZMSWPJ-UHFFFAOYSA-N
XLogP1.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244982
5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327052
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
5-butan-2-yl-2-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249724

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one (CID 106327137) is 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is CCC(C)C1NC(CC)N(CCN2CCSCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
The InChIKey is DMUYVTANZMSWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-4-12(3)14-15(19)18(13(5-2)16-14)7-6-17-8-10-20-11-9-17/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one has a molecular weight of 299.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 106327137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).