6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine

C14H16N2S — CID 80893702

IUPAC6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C14H16N2S/c1-10-7-8-11(2)12(9-10)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyPTJIJJDDVHNEKM-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.89
Rot. Bonds3

About 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine

6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 80893702) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID80893702
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C14H16N2S/c1-10-7-8-11(2)12(9-10)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyPTJIJJDDVHNEKM-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-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 80893303
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80892943
6-(2,5-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883999
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80887480
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
N-methyl-6-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 115503483
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883462
3-(2,5-dimethylphenyl)sulfanylbenzo[g]quinoxaline
CID 70163910
6-(2,4-dimethylphenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80883447
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine (CID 80893702) is 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cccc(Sc2cc(C)ccc2C)n1.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is PTJIJJDDVHNEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-7-8-11(2)12(9-10)17-14-6-4-5-13(15-3)16-14/h4-9H,1-3H3,(H,15,16).
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine?
6-(2,5-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-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 80893702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).