2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C16H28N2OS — CID 83270669

IUPAC2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H28N2OS/c1-11(2)14-16(19)18(10-13-8-5-9-20-13)15(17-14)12-6-3-4-7-12/h11-15,17H,3-10H2,1-2H3
InChIKeyLQMPQAJUKWIRBV-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.85
Rot. Bonds4

About 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270669) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83270669
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC2CCCS2)C1=O
InChIInChI=1S/C16H28N2OS/c1-11(2)14-16(19)18(10-13-8-5-9-20-13)15(17-14)12-6-3-4-7-12/h11-15,17H,3-10H2,1-2H3
InChIKeyLQMPQAJUKWIRBV-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
2-cyclopentyl-3-(2,3-dimethylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83258644
2-cyclopentyl-3-(3-methylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83238286
2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
CID 83271372
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83270669) is 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CC(C)C1NC(C2CCCC2)N(CC2CCCS2)C1=O.
What is the InChIKey of 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is LQMPQAJUKWIRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)14-16(19)18(10-13-8-5-9-20-13)15(17-14)12-6-3-4-7-12/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 296.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).