N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine

C10H13F3N2S — CID 63965039

IUPACN-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCSCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2S/c1-16-7-3-6-14-9-5-2-4-8(15-9)10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyIJUZGAJAWQTGIJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.27
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine

N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 63965039) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID63965039
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC NameN-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCSCCCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2S/c1-16-7-3-6-14-9-5-2-4-8(15-9)10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyIJUZGAJAWQTGIJ-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.27
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-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine (CID 63965039) is N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine is CSCCCNc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IJUZGAJAWQTGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-16-7-3-6-14-9-5-2-4-8(15-9)10(11,12)13/h2,4-5H,3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 250.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63965039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).