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

C15H18N2S — CID 80893303

IUPAC6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C15H18N2S/c1-4-16-14-6-5-7-15(17-14)18-13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyDXNJKZIXSBXEFI-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.28
Rot. Bonds4

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

6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine (PubChem CID 80893303) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
PubChem CID80893303
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C15H18N2S/c1-4-16-14-6-5-7-15(17-14)18-13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyDXNJKZIXSBXEFI-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine (CID 80893303) is 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine is CCNc1cccc(Sc2cc(C)ccc2C)n1.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine?
The InChIKey is DXNJKZIXSBXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-4-16-14-6-5-7-15(17-14)18-13-10-11(2)8-9-12(13)3/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine?
6-(2,5-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.28, 4 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-ethylpyridin-2-amine is sourced from PubChem (CID 80893303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).