5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine

C9H13NO2S — CID 134404695

IUPAC5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine
SMILESC=C(C1=C(C)C=CCN1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-5-4-6-10-9(7)8(2)13(3,11)12/h4-5,10H,2,6H2,1,3H3
InChIKeyRDGYPIZIQPQDOS-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.98
Rot. Bonds2

About 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine

5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine (PubChem CID 134404695) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine
PubChem CID134404695
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine
SMILESC=C(C1=C(C)C=CCN1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-7-5-4-6-10-9(7)8(2)13(3,11)12/h4-5,10H,2,6H2,1,3H3
InChIKeyRDGYPIZIQPQDOS-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine?
The IUPAC name of 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine (CID 134404695) is 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine?
The canonical SMILES for 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine is C=C(C1=C(C)C=CCN1)S(C)(=O)=O.
What is the InChIKey of 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine?
The InChIKey is RDGYPIZIQPQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-5-4-6-10-9(7)8(2)13(3,11)12/h4-5,10H,2,6H2,1,3H3.
What are the key properties of 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine?
5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine has a molecular weight of 199.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine is sourced from PubChem (CID 134404695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).