4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

C12H15F3N2O2S — CID 140907831

IUPAC4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESCCc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-2-9-3-4-10(12(13,14)15)16-11(9)17-5-7-20(18,19)8-6-17/h3-4H,2,5-8H2,1H3
InChIKeyOESGMVYIWZEDLU-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.90
Rot. Bonds2

About 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 140907831) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID140907831
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESCCc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-2-9-3-4-10(12(13,14)15)16-11(9)17-5-7-20(18,19)8-6-17/h3-4H,2,5-8H2,1H3
InChIKeyOESGMVYIWZEDLU-UHFFFAOYSA-N
XLogP1.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 140907831) is 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is CCc1ccc(C(F)(F)F)nc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is OESGMVYIWZEDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-2-9-3-4-10(12(13,14)15)16-11(9)17-5-7-20(18,19)8-6-17/h3-4H,2,5-8H2,1H3.
What are the key properties of 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 308.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 140907831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).