1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone

C17H19NOS — CID 893056

IUPAC1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone
SMILESCC(=O)c1c(C)cc(C)c(CSc2ccccn2)c1C
InChIInChI=1S/C17H19NOS/c1-11-9-12(2)17(14(4)19)13(3)15(11)10-20-16-7-5-6-8-18-16/h5-9H,10H2,1-4H3
InChIKeyFQEXYWVDPVHZAK-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.50
Rot. Bonds4

About 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone

1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone (PubChem CID 893056) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone
PubChem CID893056
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone
SMILESCC(=O)c1c(C)cc(C)c(CSc2ccccn2)c1C
InChIInChI=1S/C17H19NOS/c1-11-9-12(2)17(14(4)19)13(3)15(11)10-20-16-7-5-6-8-18-16/h5-9H,10H2,1-4H3
InChIKeyFQEXYWVDPVHZAK-UHFFFAOYSA-N
XLogP4.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone?
The IUPAC name of 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone (CID 893056) is 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone is CC(=O)c1c(C)cc(C)c(CSc2ccccn2)c1C.
What is the InChIKey of 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone?
The InChIKey is FQEXYWVDPVHZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-11-9-12(2)17(14(4)19)13(3)15(11)10-20-16-7-5-6-8-18-16/h5-9H,10H2,1-4H3.
What are the key properties of 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone?
1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone has a molecular weight of 285.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-trimethyl-3-(pyridin-2-ylsulfanylmethyl)phenyl]ethanone is sourced from PubChem (CID 893056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).