1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine

C14H17N3S — CID 80650790

IUPAC1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccn2)nc1
InChIInChI=1S/C14H17N3S/c1-2-12(15)9-11-6-7-14(17-10-11)18-13-5-3-4-8-16-13/h3-8,10,12H,2,9,15H2,1H3
InChIKeyHETDACSLPJSHMP-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.91
Rot. Bonds5

About 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine

1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine (PubChem CID 80650790) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
PubChem CID80650790
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccccn2)nc1
InChIInChI=1S/C14H17N3S/c1-2-12(15)9-11-6-7-14(17-10-11)18-13-5-3-4-8-16-13/h3-8,10,12H,2,9,15H2,1H3
InChIKeyHETDACSLPJSHMP-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine?
The IUPAC name of 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine (CID 80650790) is 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine is CCC(N)Cc1ccc(Sc2ccccn2)nc1.
What is the InChIKey of 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine?
The InChIKey is HETDACSLPJSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-12(15)9-11-6-7-14(17-10-11)18-13-5-3-4-8-16-13/h3-8,10,12H,2,9,15H2,1H3.
What are the key properties of 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine?
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine is sourced from PubChem (CID 80650790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).