4-methylsulfanyl-1-propan-2-ylpyridin-2-one

C9H13NOS — CID 176700470

IUPAC4-methylsulfanyl-1-propan-2-ylpyridin-2-one
SMILESCSc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C9H13NOS/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
InChIKeyOHUHKPAYWKEJER-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds2

About 4-methylsulfanyl-1-propan-2-ylpyridin-2-one

4-methylsulfanyl-1-propan-2-ylpyridin-2-one (PubChem CID 176700470) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methylsulfanyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-1-propan-2-ylpyridin-2-one
PubChem CID176700470
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-methylsulfanyl-1-propan-2-ylpyridin-2-one
SMILESCSc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C9H13NOS/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
InChIKeyOHUHKPAYWKEJER-UHFFFAOYSA-N
XLogP2.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4-methylsulfanyl-1-propan-2-ylpyridin-2-one (CID 176700470) is 4-methylsulfanyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-methylsulfanyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-methylsulfanyl-1-propan-2-ylpyridin-2-one is CSc1ccn(C(C)C)c(=O)c1.
What is the InChIKey of 4-methylsulfanyl-1-propan-2-ylpyridin-2-one?
The InChIKey is OHUHKPAYWKEJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(2)10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3.
What are the key properties of 4-methylsulfanyl-1-propan-2-ylpyridin-2-one?
4-methylsulfanyl-1-propan-2-ylpyridin-2-one has a molecular weight of 183.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 176700470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).