3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine

C15H19N3S — CID 102925843

IUPAC3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1CSc1cc(C)cc(C)n1
InChIInChI=1S/C15H19N3S/c1-4-16-15-13(6-5-7-17-15)10-19-14-9-11(2)8-12(3)18-14/h5-9H,4,10H2,1-3H3,(H,16,17)
InChIKeyZSWAIPLRXXVSPA-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.82
Rot. Bonds5

About 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine

3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 102925843) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID102925843
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ncccc1CSc1cc(C)cc(C)n1
InChIInChI=1S/C15H19N3S/c1-4-16-15-13(6-5-7-17-15)10-19-14-9-11(2)8-12(3)18-14/h5-9H,4,10H2,1-3H3,(H,16,17)
InChIKeyZSWAIPLRXXVSPA-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine (CID 102925843) is 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1ncccc1CSc1cc(C)cc(C)n1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is ZSWAIPLRXXVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-16-15-13(6-5-7-17-15)10-19-14-9-11(2)8-12(3)18-14/h5-9H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 273.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 102925843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).