5-propylsulfanylpyridin-3-amine

C8H12N2S — CID 119093239

IUPAC5-propylsulfanylpyridin-3-amine
SMILESCCCSc1cncc(N)c1
InChIInChI=1S/C8H12N2S/c1-2-3-11-8-4-7(9)5-10-6-8/h4-6H,2-3,9H2,1H3
InChIKeyFNZAHVDSPSECGL-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.17
Rot. Bonds3

About 5-propylsulfanylpyridin-3-amine

5-propylsulfanylpyridin-3-amine (PubChem CID 119093239) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 5-propylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-propylsulfanylpyridin-3-amine
PubChem CID119093239
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name5-propylsulfanylpyridin-3-amine
SMILESCCCSc1cncc(N)c1
InChIInChI=1S/C8H12N2S/c1-2-3-11-8-4-7(9)5-10-6-8/h4-6H,2-3,9H2,1H3
InChIKeyFNZAHVDSPSECGL-UHFFFAOYSA-N
XLogP2.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanylpyridin-3-amine?
The IUPAC name of 5-propylsulfanylpyridin-3-amine (CID 119093239) is 5-propylsulfanylpyridin-3-amine.
What is the SMILES notation for 5-propylsulfanylpyridin-3-amine?
The canonical SMILES for 5-propylsulfanylpyridin-3-amine is CCCSc1cncc(N)c1.
What is the InChIKey of 5-propylsulfanylpyridin-3-amine?
The InChIKey is FNZAHVDSPSECGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-3-11-8-4-7(9)5-10-6-8/h4-6H,2-3,9H2,1H3.
What are the key properties of 5-propylsulfanylpyridin-3-amine?
5-propylsulfanylpyridin-3-amine has a molecular weight of 168.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfanylpyridin-3-amine is sourced from PubChem (CID 119093239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).