4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H15F3N2O2S2 — CID 71850785

IUPAC4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O2S2/c1-2-12-11-6-8-23-13(11)5-7-20(12)24(21,22)14-4-3-10(9-19-14)15(16,17)18/h3-4,6,8-9,12H,2,5,7H2,1H3
InChIKeyBZYWXKJAMFXNGY-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.86
Rot. Bonds3

About 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71850785) has the molecular formula C15H15F3N2O2S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71850785
Molecular FormulaC15H15F3N2O2S2
Molecular Weight376.43 g/mol
Exact Mass376.05
IUPAC Name4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N2O2S2/c1-2-12-11-6-8-23-13(11)5-7-20(12)24(21,22)14-4-3-10(9-19-14)15(16,17)18/h3-4,6,8-9,12H,2,5,7H2,1H3
InChIKeyBZYWXKJAMFXNGY-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
CID 51263474
5-(2-chloroethylsulfonyl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107651076
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
CID 60959467
methyl 5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565495
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone
CID 55428463
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924222
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71850785) is 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCC1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BZYWXKJAMFXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S2/c1-2-12-11-6-8-23-13(11)5-7-20(12)24(21,22)14-4-3-10(9-19-14)15(16,17)18/h3-4,6,8-9,12H,2,5,7H2,1H3.
What are the key properties of 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 376.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71850785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).