3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one

C7H11NOS — CID 20605812

IUPAC3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
SMILESCSC1=C(C)CNC(=O)C1
InChIInChI=1S/C7H11NOS/c1-5-4-8-7(9)3-6(5)10-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyMGCNZLQSYQXKRI-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.14
Rot. Bonds1

About 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one

3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 20605812) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID20605812
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
SMILESCSC1=C(C)CNC(=O)C1
InChIInChI=1S/C7H11NOS/c1-5-4-8-7(9)3-6(5)10-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyMGCNZLQSYQXKRI-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one (CID 20605812) is 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one is CSC1=C(C)CNC(=O)C1.
What is the InChIKey of 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is MGCNZLQSYQXKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-4-8-7(9)3-6(5)10-2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one?
3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 157.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 20605812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).