2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine

C8H9F3N2OS — CID 58684276

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine
SMILESNCCS(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15(14)4-3-12/h1-2,5H,3-4,12H2
InChIKeyYCNZSHMEQGCRSL-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.17
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine (PubChem CID 58684276) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine
PubChem CID58684276
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine
SMILESNCCS(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15(14)4-3-12/h1-2,5H,3-4,12H2
InChIKeyYCNZSHMEQGCRSL-UHFFFAOYSA-N
XLogP1.17
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine (CID 58684276) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine is NCCS(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine?
The InChIKey is YCNZSHMEQGCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15(14)4-3-12/h1-2,5H,3-4,12H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine has a molecular weight of 238.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]ethanamine is sourced from PubChem (CID 58684276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).