2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone

C16H17NO2S — CID 58259864

IUPAC2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-8-12(2)16(13(3)9-11)14(18)10-20(19)15-6-4-5-7-17-15/h4-9H,10H2,1-3H3
InChIKeyWRFCJAPIRBXGBW-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.00
Rot. Bonds4

About 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone

2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 58259864) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID58259864
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-8-12(2)16(13(3)9-11)14(18)10-20(19)15-6-4-5-7-17-15/h4-9H,10H2,1-3H3
InChIKeyWRFCJAPIRBXGBW-UHFFFAOYSA-N
XLogP3.00
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone (CID 58259864) is 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is WRFCJAPIRBXGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-8-12(2)16(13(3)9-11)14(18)10-20(19)15-6-4-5-7-17-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone?
2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 287.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfinyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 58259864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).