6-butan-2-ylsulfanylpyridin-2-amine

C9H14N2S — CID 80652957

IUPAC6-butan-2-ylsulfanylpyridin-2-amine
SMILESCCC(C)Sc1cccc(N)n1
InChIInChI=1S/C9H14N2S/c1-3-7(2)12-9-6-4-5-8(10)11-9/h4-7H,3H2,1-2H3,(H2,10,11)
InChIKeyAPEYRWRWICENEU-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.55
Rot. Bonds3

About 6-butan-2-ylsulfanylpyridin-2-amine

6-butan-2-ylsulfanylpyridin-2-amine (PubChem CID 80652957) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 6-butan-2-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfanylpyridin-2-amine
PubChem CID80652957
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name6-butan-2-ylsulfanylpyridin-2-amine
SMILESCCC(C)Sc1cccc(N)n1
InChIInChI=1S/C9H14N2S/c1-3-7(2)12-9-6-4-5-8(10)11-9/h4-7H,3H2,1-2H3,(H2,10,11)
InChIKeyAPEYRWRWICENEU-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanylpyridin-2-amine?
The IUPAC name of 6-butan-2-ylsulfanylpyridin-2-amine (CID 80652957) is 6-butan-2-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-butan-2-ylsulfanylpyridin-2-amine?
The canonical SMILES for 6-butan-2-ylsulfanylpyridin-2-amine is CCC(C)Sc1cccc(N)n1.
What is the InChIKey of 6-butan-2-ylsulfanylpyridin-2-amine?
The InChIKey is APEYRWRWICENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-7(2)12-9-6-4-5-8(10)11-9/h4-7H,3H2,1-2H3,(H2,10,11).
What are the key properties of 6-butan-2-ylsulfanylpyridin-2-amine?
6-butan-2-ylsulfanylpyridin-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 80652957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).