3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine

C13H17NO2S — CID 164752374

IUPAC3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(c2ccc(S(C)(=O)=O)cc2)=NC1
InChIInChI=1S/C13H17NO2S/c1-10-3-8-13(14-9-10)11-4-6-12(7-5-11)17(2,15)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQVGCNNIWVQRJDA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.31
Rot. Bonds2

About 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine

3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 164752374) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine
PubChem CID164752374
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(c2ccc(S(C)(=O)=O)cc2)=NC1
InChIInChI=1S/C13H17NO2S/c1-10-3-8-13(14-9-10)11-4-6-12(7-5-11)17(2,15)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQVGCNNIWVQRJDA-UHFFFAOYSA-N
XLogP2.31
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine 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

N-(4-methylcyclohexyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 46238878
3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 169114026
1-(6-methylcyclohexen-1-yl)-4-methylsulfonylbenzene
CID 70037465
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
CID 166963509
2-(1-methylpyrrolidin-3-yl)-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
CID 170056037
2-fluoro-5-[4-methyl-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917570
1-[4-methyl-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
CID 22917692
disodium;(4-methylsulfonylphenyl)-dioxidoborane
CID 172562090
2-(4-methylsulfonylphenyl)-3H-quinolin-4-one
CID 142639539
N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
CID 25482097
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine (CID 164752374) is 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine is CC1CCC(c2ccc(S(C)(=O)=O)cc2)=NC1.
What is the InChIKey of 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is QVGCNNIWVQRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10-3-8-13(14-9-10)11-4-6-12(7-5-11)17(2,15)16/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine?
3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 251.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 164752374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).