1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one

C11H18F3N3OS — CID 116617521

IUPAC1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCSC(F)(F)F)CCN1C1CCNCC1
InChIInChI=1S/C11H18F3N3OS/c12-11(13,14)19-8-7-16-5-6-17(10(16)18)9-1-3-15-4-2-9/h9,15H,1-8H2
InChIKeyGJIFRIUCBFXYCA-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.73
Rot. Bonds4

About 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one

1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one (PubChem CID 116617521) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one
PubChem CID116617521
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCSC(F)(F)F)CCN1C1CCNCC1
InChIInChI=1S/C11H18F3N3OS/c12-11(13,14)19-8-7-16-5-6-17(10(16)18)9-1-3-15-4-2-9/h9,15H,1-8H2
InChIKeyGJIFRIUCBFXYCA-UHFFFAOYSA-N
XLogP1.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
N-[1-(1-sulfanylethyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 135225023
3-fluoro-N-[1-(1-sulfanylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 138607865
1-[2-[(4,5-Dimethyl-1,3-thiazolidin-2-yl)amino]ethyl]-1-ethyl-3-(3-fluoropiperidin-4-yl)urea
CID 154607667
1-Piperidin-3-yl-3-(trifluoromethyl)imidazolidin-2-one
CID 166452676
4-(4,5-dimethyl-1,3-thiazolidin-2-yl)-N-(3-fluoropiperidin-4-yl)piperazine-1-carboxamide
CID 168118719
(2R,5S)-2-(trifluoromethylsulfanyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 173844384
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 53611203
1-(1-Methylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60606404

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one (CID 116617521) is 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one is O=C1N(CCSC(F)(F)F)CCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one?
The InChIKey is GJIFRIUCBFXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c12-11(13,14)19-8-7-16-5-6-17(10(16)18)9-1-3-15-4-2-9/h9,15H,1-8H2.
What are the key properties of 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one?
1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one has a molecular weight of 297.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116617521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).