4-ethylsulfanylpyridin-3-amine

C7H10N2S — CID 28890556

IUPAC4-ethylsulfanylpyridin-3-amine
SMILESCCSc1ccncc1N
InChIInChI=1S/C7H10N2S/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3
InChIKeyXGBDFZZSKLPALD-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.78
Rot. Bonds2

About 4-ethylsulfanylpyridin-3-amine

4-ethylsulfanylpyridin-3-amine (PubChem CID 28890556) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-ethylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-ethylsulfanylpyridin-3-amine
PubChem CID28890556
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4-ethylsulfanylpyridin-3-amine
SMILESCCSc1ccncc1N
InChIInChI=1S/C7H10N2S/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3
InChIKeyXGBDFZZSKLPALD-UHFFFAOYSA-N
XLogP1.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylpyridin-3-amine?
The IUPAC name of 4-ethylsulfanylpyridin-3-amine (CID 28890556) is 4-ethylsulfanylpyridin-3-amine.
What is the SMILES notation for 4-ethylsulfanylpyridin-3-amine?
The canonical SMILES for 4-ethylsulfanylpyridin-3-amine is CCSc1ccncc1N.
What is the InChIKey of 4-ethylsulfanylpyridin-3-amine?
The InChIKey is XGBDFZZSKLPALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3.
What are the key properties of 4-ethylsulfanylpyridin-3-amine?
4-ethylsulfanylpyridin-3-amine has a molecular weight of 154.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylpyridin-3-amine is sourced from PubChem (CID 28890556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).