[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

C11H15F3N2S — CID 79876736

IUPAC[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCC(C)Sc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C11H15F3N2S/c1-3-7(2)17-10-8(6-15)4-5-9(16-10)11(12,13)14/h4-5,7H,3,6,15H2,1-2H3
InChIKeyJMAJPVSQOJZKCO-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.45
Rot. Bonds4

About [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79876736) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79876736
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCC(C)Sc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C11H15F3N2S/c1-3-7(2)17-10-8(6-15)4-5-9(16-10)11(12,13)14/h4-5,7H,3,6,15H2,1-2H3
InChIKeyJMAJPVSQOJZKCO-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877133
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876668
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876875
[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79875695
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876945
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 79869327
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
2-(4-chlorobutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876806
[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874084
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 79873820

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79876736) is [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is CCC(C)Sc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is JMAJPVSQOJZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-3-7(2)17-10-8(6-15)4-5-9(16-10)11(12,13)14/h4-5,7H,3,6,15H2,1-2H3.
What are the key properties of [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 264.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79876736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).