4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine

C14H17N3S — CID 79222292

IUPAC4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
SMILESCN(CCSc1ccccc1)c1ccncc1N
InChIInChI=1S/C14H17N3S/c1-17(14-7-8-16-11-13(14)15)9-10-18-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3
InChIKeyPHZLLMSIATXHMM-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.89
Rot. Bonds5

About 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine

4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine (PubChem CID 79222292) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
PubChem CID79222292
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
SMILESCN(CCSc1ccccc1)c1ccncc1N
InChIInChI=1S/C14H17N3S/c1-17(14-7-8-16-11-13(14)15)9-10-18-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3
InChIKeyPHZLLMSIATXHMM-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine (CID 79222292) is 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine is CN(CCSc1ccccc1)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine?
The InChIKey is PHZLLMSIATXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-17(14-7-8-16-11-13(14)15)9-10-18-12-5-3-2-4-6-12/h2-8,11H,9-10,15H2,1H3.
What are the key properties of 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine has a molecular weight of 259.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine is sourced from PubChem (CID 79222292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).