5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one

C13H13ClN2OS — CID 43260250

IUPAC5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2OS/c14-10-1-4-12(5-2-10)18-8-7-16-9-11(15)3-6-13(16)17/h1-6,9H,7-8,15H2
InChIKeyAUTJJSMXGBHQLN-UHFFFAOYSA-N
MW280.78 g/mol
LogP2.88
Rot. Bonds4

About 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one

5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one (PubChem CID 43260250) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one
PubChem CID43260250
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2OS/c14-10-1-4-12(5-2-10)18-8-7-16-9-11(15)3-6-13(16)17/h1-6,9H,7-8,15H2
InChIKeyAUTJJSMXGBHQLN-UHFFFAOYSA-N
XLogP2.88
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
CID 62305299
5-amino-1-[2-(2-bromophenyl)sulfanylethyl]pyridin-2-one
CID 43260396
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one
CID 43446012
5-amino-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]ethyl]pyridin-2-one
CID 62978581
5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one
CID 107780034
5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one
CID 43260356
5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
CID 43446011
5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
CID 64601750
1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
CID 82032086
5-amino-1-[3-(2-bromophenyl)sulfanylpropyl]pyridin-2-one
CID 43260395
4-[2-(4-chlorophenyl)sulfanylethoxy]aniline
CID 43174483

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one (CID 43260250) is 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one is Nc1ccc(=O)n(CCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one?
The InChIKey is AUTJJSMXGBHQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-10-1-4-12(5-2-10)18-8-7-16-9-11(15)3-6-13(16)17/h1-6,9H,7-8,15H2.
What are the key properties of 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one?
5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one has a molecular weight of 280.78 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-chlorophenyl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 43260250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).