3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine

C14H17NS — CID 163208665

IUPAC3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1=NCC(c2c(C)cccc2C)C=C1
InChIInChI=1S/C14H17NS/c1-10-5-4-6-11(2)14(10)12-7-8-13(16-3)15-9-12/h4-8,12H,9H2,1-3H3
InChIKeyHDGBZCIWWJPDCF-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.72
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine

3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine (PubChem CID 163208665) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine
PubChem CID163208665
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1=NCC(c2c(C)cccc2C)C=C1
InChIInChI=1S/C14H17NS/c1-10-5-4-6-11(2)14(10)12-7-8-13(16-3)15-9-12/h4-8,12H,9H2,1-3H3
InChIKeyHDGBZCIWWJPDCF-UHFFFAOYSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1H-inden-1-amine
CID 82157961
7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
CID 22482576
6-methylsulfanylpyridin-2-amine
CID 23423787
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
methane;(1S,8R)-3,11,11-trimethyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 159199814
1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole
CID 146578426
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117199454
2-cyclopropyl-3-methylbenzenethiol
CID 174690891
3-methyl-2-(4-methylcyclohexyl)aniline
CID 125449490
1,4-dimethyl-2-methylsulfanylbenzimidazole
CID 54413606
2-(7-methyl-1H-inden-1-yl)acetic acid
CID 82158091
2-[(2Z,5Z)-cycloocta-2,5-dien-1-yl]-3,6-dimethylaniline
CID 23239104

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine (CID 163208665) is 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine is CSC1=NCC(c2c(C)cccc2C)C=C1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is HDGBZCIWWJPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-5-4-6-11(2)14(10)12-7-8-13(16-3)15-9-12/h4-8,12H,9H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine?
3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine has a molecular weight of 231.36 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-6-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 163208665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).