6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

C16H20N2S — CID 79239392

IUPAC6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CSc2cc(C)ccc2C)n1
InChIInChI=1S/C16H20N2S/c1-4-17-16-7-5-6-14(18-16)11-19-15-10-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3,(H,17,18)
InChIKeyVSQBXKGJRGRNOJ-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.42
Rot. Bonds5

About 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 79239392) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID79239392
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CSc2cc(C)ccc2C)n1
InChIInChI=1S/C16H20N2S/c1-4-17-16-7-5-6-14(18-16)11-19-15-10-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3,(H,17,18)
InChIKeyVSQBXKGJRGRNOJ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.42
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)sulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (CID 79239392) is 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1cccc(CSc2cc(C)ccc2C)n1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is VSQBXKGJRGRNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-4-17-16-7-5-6-14(18-16)11-19-15-10-12(2)8-9-13(15)3/h5-10H,4,11H2,1-3H3,(H,17,18).
What are the key properties of 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79239392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).