3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one

C10H15NO3S — CID 115610761

IUPAC3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCc1cccn(CCCS(C)(=O)=O)c1=O
InChIInChI=1S/C10H15NO3S/c1-9-5-3-6-11(10(9)12)7-4-8-15(2,13)14/h3,5-6H,4,7-8H2,1-2H3
InChIKeyAMIYYUUADKWQNQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one

3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one (PubChem CID 115610761) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
PubChem CID115610761
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCc1cccn(CCCS(C)(=O)=O)c1=O
InChIInChI=1S/C10H15NO3S/c1-9-5-3-6-11(10(9)12)7-4-8-15(2,13)14/h3,5-6H,4,7-8H2,1-2H3
InChIKeyAMIYYUUADKWQNQ-UHFFFAOYSA-N
XLogP0.59
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
CID 115650998
3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
1-(4-aminopentyl)-3-methylpyridin-2-one
CID 63172460
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
CID 63310974
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300
3-(3-amino-2-oxo-1-pyridinyl)propane-1-sulfonamide
CID 138585348
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one (CID 115610761) is 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one is Cc1cccn(CCCS(C)(=O)=O)c1=O.
What is the InChIKey of 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The InChIKey is AMIYYUUADKWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9-5-3-6-11(10(9)12)7-4-8-15(2,13)14/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one has a molecular weight of 229.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one is sourced from PubChem (CID 115610761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).