N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine

C11H15F3N2S — CID 115637441

IUPACN-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCSCCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2S/c1-17-8-3-2-7-15-10-6-4-5-9(16-10)11(12,13)14/h4-6H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyNYMAUWWUGAMTTI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.66
Rot. Bonds6

About N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine

N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 115637441) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID115637441
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCSCCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2S/c1-17-8-3-2-7-15-10-6-4-5-9(16-10)11(12,13)14/h4-6H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyNYMAUWWUGAMTTI-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine (CID 115637441) is N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine is CSCCCCNc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NYMAUWWUGAMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-17-8-3-2-7-15-10-6-4-5-9(16-10)11(12,13)14/h4-6H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 264.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115637441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).