3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one

C8H11NOS — CID 156561902

IUPAC3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(C)[nH]c(=O)c1C
InChIInChI=1S/C8H11NOS/c1-5-4-7(11-3)6(2)8(10)9-5/h4H,1-3H3,(H,9,10)
InChIKeyAIHKAIGVHSKANA-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.71
Rot. Bonds1

About 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one

3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one (PubChem CID 156561902) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one
PubChem CID156561902
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(C)[nH]c(=O)c1C
InChIInChI=1S/C8H11NOS/c1-5-4-7(11-3)6(2)8(10)9-5/h4H,1-3H3,(H,9,10)
InChIKeyAIHKAIGVHSKANA-UHFFFAOYSA-N
XLogP1.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one (CID 156561902) is 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one is CSc1cc(C)[nH]c(=O)c1C.
What is the InChIKey of 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is AIHKAIGVHSKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-4-7(11-3)6(2)8(10)9-5/h4H,1-3H3,(H,9,10).
What are the key properties of 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one?
3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 169.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 156561902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).