4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine

C11H15F3N2S — CID 135228327

IUPAC4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)Sc1ccnc(N)c1C(F)(F)F
InChIInChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16)
InChIKeyACCLZYYSQWLSKG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.82
Rot. Bonds3

About 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine

4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 135228327) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID135228327
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)Sc1ccnc(N)c1C(F)(F)F
InChIInChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16)
InChIKeyACCLZYYSQWLSKG-UHFFFAOYSA-N
XLogP3.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine (CID 135228327) is 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine is CC(C)C(C)Sc1ccnc(N)c1C(F)(F)F.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ACCLZYYSQWLSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine?
4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 264.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 135228327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).