N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine

C21H22N2S — CID 134316740

IUPACN-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine
SMILESCC1=NC(/C=N\c2ccccc2Sc2c(C)cccc2C)=CCC1
InChIInChI=1S/C21H22N2S/c1-15-8-6-9-16(2)21(15)24-20-13-5-4-12-19(20)22-14-18-11-7-10-17(3)23-18/h4-6,8-9,11-14H,7,10H2,1-3H3/b22-14-
InChIKeyQBCFQUYVCBTEHL-HMAPJEAMSA-N
MW334.49 g/mol
LogP6.30
Rot. Bonds4

About N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine

N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine (PubChem CID 134316740) has the molecular formula C21H22N2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine
PubChem CID134316740
Molecular FormulaC21H22N2S
Molecular Weight334.49 g/mol
Exact Mass334.15
IUPAC NameN-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine
SMILESCC1=NC(/C=N\c2ccccc2Sc2c(C)cccc2C)=CCC1
InChIInChI=1S/C21H22N2S/c1-15-8-6-9-16(2)21(15)24-20-13-5-4-12-19(20)22-14-18-11-7-10-17(3)23-18/h4-6,8-9,11-14H,7,10H2,1-3H3/b22-14-
InChIKeyQBCFQUYVCBTEHL-HMAPJEAMSA-N
XLogP6.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine 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 N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine?
The IUPAC name of N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine (CID 134316740) is N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine is CC1=NC(/C=N\c2ccccc2Sc2c(C)cccc2C)=CCC1.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine?
The InChIKey is QBCFQUYVCBTEHL-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H22N2S/c1-15-8-6-9-16(2)21(15)24-20-13-5-4-12-19(20)22-14-18-11-7-10-17(3)23-18/h4-6,8-9,11-14H,7,10H2,1-3H3/b22-14-.
What are the key properties of N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine?
N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine has a molecular weight of 334.49 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)sulfanylphenyl]-1-(2-methyl-3,4-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 134316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).