6-methylsulfanyl-3-propyl-1H-pyridin-2-one

C9H13NOS — CID 170328161

IUPAC6-methylsulfanyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1ccc(SC)[nH]c1=O
InChIInChI=1S/C9H13NOS/c1-3-4-7-5-6-8(12-2)10-9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyJUUQXNQYGGPPCV-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.05
Rot. Bonds3

About 6-methylsulfanyl-3-propyl-1H-pyridin-2-one

6-methylsulfanyl-3-propyl-1H-pyridin-2-one (PubChem CID 170328161) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-methylsulfanyl-3-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methylsulfanyl-3-propyl-1H-pyridin-2-one
PubChem CID170328161
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name6-methylsulfanyl-3-propyl-1H-pyridin-2-one
SMILESCCCc1ccc(SC)[nH]c1=O
InChIInChI=1S/C9H13NOS/c1-3-4-7-5-6-8(12-2)10-9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyJUUQXNQYGGPPCV-UHFFFAOYSA-N
XLogP2.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-3-propyl-1H-pyridin-2-one?
The IUPAC name of 6-methylsulfanyl-3-propyl-1H-pyridin-2-one (CID 170328161) is 6-methylsulfanyl-3-propyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methylsulfanyl-3-propyl-1H-pyridin-2-one?
The canonical SMILES for 6-methylsulfanyl-3-propyl-1H-pyridin-2-one is CCCc1ccc(SC)[nH]c1=O.
What is the InChIKey of 6-methylsulfanyl-3-propyl-1H-pyridin-2-one?
The InChIKey is JUUQXNQYGGPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-4-7-5-6-8(12-2)10-9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 6-methylsulfanyl-3-propyl-1H-pyridin-2-one?
6-methylsulfanyl-3-propyl-1H-pyridin-2-one has a molecular weight of 183.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-3-propyl-1H-pyridin-2-one is sourced from PubChem (CID 170328161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).