2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

C12H22N2OS — CID 83257328

IUPAC2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1C1CCCC1
InChIInChI=1S/C12H22N2OS/c1-16-8-4-7-14-11(15)9-13-12(14)10-5-2-3-6-10/h10,12-13H,2-9H2,1H3
InChIKeyRFIVACUXNJFYIM-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.69
Rot. Bonds5

About 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one

2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (PubChem CID 83257328) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
PubChem CID83257328
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
SMILESCSCCCN1C(=O)CNC1C1CCCC1
InChIInChI=1S/C12H22N2OS/c1-16-8-4-7-14-11(15)9-13-12(14)10-5-2-3-6-10/h10,12-13H,2-9H2,1H3
InChIKeyRFIVACUXNJFYIM-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-3-octylimidazolidin-4-one
CID 83260832
2-cyclopentyl-3-(3-methylsulfinylpropyl)imidazolidin-4-one
CID 113488490
2-cyclopentyl-3-(2-fluoroethyl)imidazolidin-4-one
CID 130504754
2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
CID 106011110
2-cyclopentyl-3-(2-cyclopropylethyl)imidazolidin-4-one
CID 83258937
2-cyclopentyl-3-(2-cyclopentyloxyethyl)imidazolidin-4-one
CID 83257002
2-cyclopentyl-3-[2-[ethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254712
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257415
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474633
1-(4-methylsulfanylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 113488367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one (CID 83257328) is 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is CSCCCN1C(=O)CNC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
The InChIKey is RFIVACUXNJFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-16-8-4-7-14-11(15)9-13-12(14)10-5-2-3-6-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one?
2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one has a molecular weight of 242.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).