3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one

C9H18N2OS — CID 83257532

IUPAC3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCSC
InChIInChI=1S/C9H18N2OS/c1-3-4-8-10-7-9(12)11(8)5-6-13-2/h8,10H,3-7H2,1-2H3
InChIKeyGWMCHMNRXRPFLX-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.91
Rot. Bonds5

About 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one

3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one (PubChem CID 83257532) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
PubChem CID83257532
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CCSC
InChIInChI=1S/C9H18N2OS/c1-3-4-8-10-7-9(12)11(8)5-6-13-2/h8,10H,3-7H2,1-2H3
InChIKeyGWMCHMNRXRPFLX-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
3-methyl-2-propylimidazolidin-4-one
CID 83259789
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
3-[(4-methyloxan-4-yl)methyl]-2-propylimidazolidin-4-one
CID 114125447
2-cyclopentyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257328
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
2-ethyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83258052

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one (CID 83257532) is 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1CCSC.
What is the InChIKey of 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one?
The InChIKey is GWMCHMNRXRPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-4-8-10-7-9(12)11(8)5-6-13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one?
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one has a molecular weight of 202.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83257532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).