5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C14H26N2OS — CID 83270352

IUPAC5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC2CCCS2)C1=O
InChIInChI=1S/C14H26N2OS/c1-4-10(3)13-14(17)16(12(5-2)15-13)9-11-7-6-8-18-11/h10-13,15H,4-9H2,1-3H3
InChIKeyXSUVRHPJKHNTFL-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.46
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270352) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83270352
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC2CCCS2)C1=O
InChIInChI=1S/C14H26N2OS/c1-4-10(3)13-14(17)16(12(5-2)15-13)9-11-7-6-8-18-11/h10-13,15H,4-9H2,1-3H3
InChIKeyXSUVRHPJKHNTFL-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83270352) is 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CCC(C)C1NC(CC)N(CC2CCCS2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is XSUVRHPJKHNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-10(3)13-14(17)16(12(5-2)15-13)9-11-7-6-8-18-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 270.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).