3-methylsulfonyl-1,2-dihydropyridine

C6H9NO2S — CID 154553310

IUPAC3-methylsulfonyl-1,2-dihydropyridine
SMILESCS(=O)(=O)C1=CC=CNC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)6-3-2-4-7-5-6/h2-4,7H,5H2,1H3
InChIKeyUEYOQMGCECPMOC-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.03
Rot. Bonds1

About 3-methylsulfonyl-1,2-dihydropyridine

3-methylsulfonyl-1,2-dihydropyridine (PubChem CID 154553310) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-methylsulfonyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methylsulfonyl-1,2-dihydropyridine
PubChem CID154553310
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-methylsulfonyl-1,2-dihydropyridine
SMILESCS(=O)(=O)C1=CC=CNC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)6-3-2-4-7-5-6/h2-4,7H,5H2,1H3
InChIKeyUEYOQMGCECPMOC-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1,2-dihydropyridine?
The IUPAC name of 3-methylsulfonyl-1,2-dihydropyridine (CID 154553310) is 3-methylsulfonyl-1,2-dihydropyridine.
What is the SMILES notation for 3-methylsulfonyl-1,2-dihydropyridine?
The canonical SMILES for 3-methylsulfonyl-1,2-dihydropyridine is CS(=O)(=O)C1=CC=CNC1.
What is the InChIKey of 3-methylsulfonyl-1,2-dihydropyridine?
The InChIKey is UEYOQMGCECPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-10(8,9)6-3-2-4-7-5-6/h2-4,7H,5H2,1H3.
What are the key properties of 3-methylsulfonyl-1,2-dihydropyridine?
3-methylsulfonyl-1,2-dihydropyridine has a molecular weight of 159.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1,2-dihydropyridine is sourced from PubChem (CID 154553310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).