[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone

C12H13F3N2OS — CID 2795957

IUPAC[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCSCC1
InChIInChI=1S/C12H13F3N2OS/c1-8-9(2-3-10(16-8)12(13,14)15)11(18)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3
InChIKeyYNLGILUNDCXOBC-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.60
Rot. Bonds1

About [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone

[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 2795957) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID2795957
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCSCC1
InChIInChI=1S/C12H13F3N2OS/c1-8-9(2-3-10(16-8)12(13,14)15)11(18)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3
InChIKeyYNLGILUNDCXOBC-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone (CID 2795957) is [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCSCC1.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is YNLGILUNDCXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-8-9(2-3-10(16-8)12(13,14)15)11(18)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone?
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 290.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 2795957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).