1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

C15H19F3N2OS — CID 78796902

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2OS/c1-10-4-3-5-11(2)20(10)14(21)9-22-13-7-6-12(8-19-13)15(16,17)18/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJBPDNCHETKNLOE-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 78796902) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID78796902
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCC1CCCC(C)N1C(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H19F3N2OS/c1-10-4-3-5-11(2)20(10)14(21)9-22-13-7-6-12(8-19-13)15(16,17)18/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJBPDNCHETKNLOE-UHFFFAOYSA-N
XLogP3.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 55677503
(3R,4R)-4-cyclopropyl-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978830
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 55412875
tert-butyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 47134968
1-(2-thiophen-3-ylpyrrolidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 55714601
N-(4-hydroxycyclohexyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78794481
N-(4-ethylcyclohexyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 112817234
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2355238
1-(3-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802334
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 55574752
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 31713386

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 78796902) is 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is CC1CCCC(C)N1C(=O)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is JBPDNCHETKNLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c1-10-4-3-5-11(2)20(10)14(21)9-22-13-7-6-12(8-19-13)15(16,17)18/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 332.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 78796902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).