4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one

C11H17NO3S — CID 106731659

IUPAC4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
SMILESCCCS(=O)(=O)CCn1ccc(C)cc1=O
InChIInChI=1S/C11H17NO3S/c1-3-7-16(14,15)8-6-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3
InChIKeyJQEQVNUKHNYNFN-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds5

About 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one

4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one (PubChem CID 106731659) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
PubChem CID106731659
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one
SMILESCCCS(=O)(=O)CCn1ccc(C)cc1=O
InChIInChI=1S/C11H17NO3S/c1-3-7-16(14,15)8-6-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3
InChIKeyJQEQVNUKHNYNFN-UHFFFAOYSA-N
XLogP0.98
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one (CID 106731659) is 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one is CCCS(=O)(=O)CCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one?
The InChIKey is JQEQVNUKHNYNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-7-16(14,15)8-6-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one?
4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one has a molecular weight of 243.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 106731659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).