6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine

C14H16N2S — CID 80892943

IUPAC6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16N2S/c1-10-7-8-12(9-11(10)2)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyPXLOUOLBDWJONR-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.89
Rot. Bonds3

About 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine

6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 80892943) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID80892943
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16N2S/c1-10-7-8-12(9-11(10)2)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyPXLOUOLBDWJONR-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80887480
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883462
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
6-(2,5-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883999
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478
6-(4-methylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80885007
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-(3,4-dimethylphenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43262776
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine (CID 80892943) is 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cccc(Sc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is PXLOUOLBDWJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-7-8-12(9-11(10)2)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16).
What are the key properties of 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 80892943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).