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

C16H20N2OS — CID 43260296

IUPAC5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one
SMILESCc1ccc(SCCCn2cc(N)ccc2=O)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-12-4-6-15(13(2)10-12)20-9-3-8-18-11-14(17)5-7-16(18)19/h4-7,10-11H,3,8-9,17H2,1-2H3
InChIKeyBUQKZDFHSWGTFY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds5

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

5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one (PubChem CID 43260296) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one
PubChem CID43260296
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one
SMILESCc1ccc(SCCCn2cc(N)ccc2=O)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-12-4-6-15(13(2)10-12)20-9-3-8-18-11-14(17)5-7-16(18)19/h4-7,10-11H,3,8-9,17H2,1-2H3
InChIKeyBUQKZDFHSWGTFY-UHFFFAOYSA-N
XLogP3.23
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]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

5-amino-1-[3-(2-bromophenyl)sulfanylpropyl]pyridin-2-one
CID 43260395
5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one
CID 107780034
5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
CID 43260232
5-amino-1-[3-(2-methylsulfonylethylsulfanyl)propyl]pyridin-2-one
CID 63659376
5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
CID 43446011
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
CID 43259823
5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]pyridin-2-one
CID 62305299
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
CID 62001808
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
CID 43260140
5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
1-(3-isocyanatopropylsulfanyl)-2,4-dimethylbenzene
CID 54053146

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one (CID 43260296) is 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one is Cc1ccc(SCCCn2cc(N)ccc2=O)c(C)c1.
What is the InChIKey of 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one?
The InChIKey is BUQKZDFHSWGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-4-6-15(13(2)10-12)20-9-3-8-18-11-14(17)5-7-16(18)19/h4-7,10-11H,3,8-9,17H2,1-2H3.
What are the key properties of 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one?
5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2,4-dimethylphenyl)sulfanylpropyl]pyridin-2-one is sourced from PubChem (CID 43260296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).