2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one

C15H14N2O2S — CID 155394811

IUPAC2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one
SMILESCN1C(=O)c2c(cccc2S(C)=O)C1c1cccnc1
InChIInChI=1S/C15H14N2O2S/c1-17-14(10-5-4-8-16-9-10)11-6-3-7-12(20(2)19)13(11)15(17)18/h3-9,14H,1-2H3
InChIKeyIFFJCZFYILWOGI-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.99
Rot. Bonds2

About 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one

2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 155394811) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one
PubChem CID155394811
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one
SMILESCN1C(=O)c2c(cccc2S(C)=O)C1c1cccnc1
InChIInChI=1S/C15H14N2O2S/c1-17-14(10-5-4-8-16-9-10)11-6-3-7-12(20(2)19)13(11)15(17)18/h3-9,14H,1-2H3
InChIKeyIFFJCZFYILWOGI-UHFFFAOYSA-N
XLogP1.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,3-dimethyl-6-(4-methylsulfinyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 139404648
(3R)-1,3,4-trimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404589
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
CID 69430460
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
(5S)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-methyl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 1072336
3-aminooxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 118629469
(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155394911
(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40540359
3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 23731967
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
5,6-dimethyl-2-pyridin-3-yl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 5149967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one (CID 155394811) is 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one is CN1C(=O)c2c(cccc2S(C)=O)C1c1cccnc1.
What is the InChIKey of 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is IFFJCZFYILWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-17-14(10-5-4-8-16-9-10)11-6-3-7-12(20(2)19)13(11)15(17)18/h3-9,14H,1-2H3.
What are the key properties of 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one?
2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 286.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylsulfinyl-3-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 155394811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).