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

C14H16N2O2S — CID 82897703

IUPAC1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
SMILESCOc1ccc(N)c(SCCn2ccccc2=O)c1
InChIInChI=1S/C14H16N2O2S/c1-18-11-5-6-12(15)13(10-11)19-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyRCNSOXJYTLHFRG-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.23
Rot. Bonds5

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

1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one (PubChem CID 82897703) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
PubChem CID82897703
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
SMILESCOc1ccc(N)c(SCCn2ccccc2=O)c1
InChIInChI=1S/C14H16N2O2S/c1-18-11-5-6-12(15)13(10-11)19-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyRCNSOXJYTLHFRG-UHFFFAOYSA-N
XLogP2.23
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
4-methoxy-2-(3-phenylpropylsulfanyl)aniline
CID 79519157
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
CID 86979532
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
4-methoxy-2-(1-phenylethylsulfanyl)aniline
CID 79518054
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
CID 113430079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one (CID 82897703) is 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one is COc1ccc(N)c(SCCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one?
The InChIKey is RCNSOXJYTLHFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-11-5-6-12(15)13(10-11)19-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one?
1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one has a molecular weight of 276.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 82897703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).