1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one

C11H17NO3S — CID 115650998

IUPAC1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
SMILESCCS(=O)(=O)CCCn1cccc(C)c1=O
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-10(2)11(12)13/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyXPOJPEGACLWKBX-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.98
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one

1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one (PubChem CID 115650998) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
PubChem CID115650998
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
SMILESCCS(=O)(=O)CCCn1cccc(C)c1=O
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-10(2)11(12)13/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyXPOJPEGACLWKBX-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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Related Compounds

3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
CID 115610761
3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
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
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300
2,2-dimethyl-5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 65257319
1-(2-cyclopropylethyl)-3-methylpyridin-2-one
CID 116621462
1-[3-(3-aminopyrazol-1-yl)propyl]-3-methylpyridin-2-one
CID 63310974

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one (CID 115650998) is 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one is CCS(=O)(=O)CCCn1cccc(C)c1=O.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one?
The InChIKey is XPOJPEGACLWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-10(2)11(12)13/h4,6-7H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one?
1-(3-ethylsulfonylpropyl)-3-methylpyridin-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 1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one is sourced from PubChem (CID 115650998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).