N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine

C14H16N2OS — CID 80885405

IUPACN-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2ccccc2OC)n1
InChIInChI=1S/C14H16N2OS/c1-3-15-13-9-6-10-14(16-13)18-12-8-5-4-7-11(12)17-2/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyYLCNJDKAUSHFQP-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine

N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine (PubChem CID 80885405) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
PubChem CID80885405
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
SMILESCCNc1cccc(Sc2ccccc2OC)n1
InChIInChI=1S/C14H16N2OS/c1-3-15-13-9-6-10-14(16-13)18-12-8-5-4-7-11(12)17-2/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyYLCNJDKAUSHFQP-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine (CID 80885405) is N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine is CCNc1cccc(Sc2ccccc2OC)n1.
What is the InChIKey of N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine?
The InChIKey is YLCNJDKAUSHFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-15-13-9-6-10-14(16-13)18-12-8-5-4-7-11(12)17-2/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine?
N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 80885405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).