5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one

C15H18N2O3S — CID 43444230

IUPAC5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one
SMILESCc1ccc(S(=O)(=O)CCn2cc(N)ccc2=O)cc1C
InChIInChI=1S/C15H18N2O3S/c1-11-3-5-14(9-12(11)2)21(19,20)8-7-17-10-13(16)4-6-15(17)18/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyMAEUVMUCEREIDJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.52
Rot. Bonds4

About 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one

5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one (PubChem CID 43444230) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one
PubChem CID43444230
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one
SMILESCc1ccc(S(=O)(=O)CCn2cc(N)ccc2=O)cc1C
InChIInChI=1S/C15H18N2O3S/c1-11-3-5-14(9-12(11)2)21(19,20)8-7-17-10-13(16)4-6-15(17)18/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyMAEUVMUCEREIDJ-UHFFFAOYSA-N
XLogP1.52
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[3-(2-methylsulfonylethylsulfanyl)propyl]pyridin-2-one
CID 63659376
1-[2-(3,4-dimethylphenyl)sulfonylethyl]triazole-4-carboxylic acid
CID 29082318
5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one
CID 43806876
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
5-amino-1-[3-(2-methylpropylsulfonyl)propyl]pyridin-2-one
CID 43382355
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
CID 62001808
2-[2-(3,4-dimethylphenyl)sulfonylethyl]aniline
CID 62495421
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
CID 43260140
4-[(3,4-dimethylphenyl)sulfonylmethyl]-3-fluoroaniline
CID 64768886
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one (CID 43444230) is 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one is Cc1ccc(S(=O)(=O)CCn2cc(N)ccc2=O)cc1C.
What is the InChIKey of 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one?
The InChIKey is MAEUVMUCEREIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-3-5-14(9-12(11)2)21(19,20)8-7-17-10-13(16)4-6-15(17)18/h3-6,9-10H,7-8,16H2,1-2H3.
What are the key properties of 5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one?
5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one has a molecular weight of 306.39 g/mol, XLogP of 1.52, 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-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one is sourced from PubChem (CID 43444230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).