5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one

C10H16N2O3S — CID 79355429

IUPAC5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one
SMILESCCS(=O)(=O)CCn1cc(N)c(C)cc1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16(14,15)5-4-12-7-9(11)8(2)6-10(12)13/h6-7H,3-5,11H2,1-2H3
InChIKeyPLFQLNVSWMZQHE-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.17
Rot. Bonds4

About 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one

5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one (PubChem CID 79355429) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one
PubChem CID79355429
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one
SMILESCCS(=O)(=O)CCn1cc(N)c(C)cc1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16(14,15)5-4-12-7-9(11)8(2)6-10(12)13/h6-7H,3-5,11H2,1-2H3
InChIKeyPLFQLNVSWMZQHE-UHFFFAOYSA-N
XLogP0.17
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-(3-propan-2-ylsulfonylpropyl)pyridin-2-one
CID 132306202
5-Amino-3-ethylsulfonyl-1-(2-fluoroethyl)pyridin-2-one
CID 172414846
2-(3-methylbutylsulfonyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75461902
5-Ethylsulfonyl-1,4-dimethylpyridin-2-one
CID 156227487
4-[[(Z)-2-methylpent-3-en-2-yl]sulfonylmethyl]-1-propan-2-ylpyridin-2-one
CID 156340068
5-Amino-1-(3-tert-butylsulfonylpropyl)pyridin-2-one
CID 43382298
5-Amino-1-(3-butan-2-ylsulfonylpropyl)pyridin-2-one
CID 43382317
5-Amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one
CID 43382355
5-Amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one
CID 43444346
5-Amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one
CID 43444573
5-Amino-1-(3-ethylsulfonylpropyl)pyridin-2-one
CID 43444654
5-Amino-1-(2-(ethylsulfonyl)ethyl)pyridin-2(1h)-one
CID 43444655

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one (CID 79355429) is 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one is CCS(=O)(=O)CCn1cc(N)c(C)cc1=O.
What is the InChIKey of 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one?
The InChIKey is PLFQLNVSWMZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-16(14,15)5-4-12-7-9(11)8(2)6-10(12)13/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one?
5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one has a molecular weight of 244.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethylsulfonylethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 79355429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).