3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

C7H7F3N2O2S — CID 57367517

IUPAC3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-4-3-15(13,14)2-1-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKeySOGURQVXVXBYIH-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.90
Rot. Bonds

About 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 57367517) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID57367517
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESO=S1(=O)CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-4-3-15(13,14)2-1-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKeySOGURQVXVXBYIH-UHFFFAOYSA-N
XLogP0.90
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 57367517) is 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is O=S1(=O)CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is SOGURQVXVXBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)6-4-3-15(13,14)2-1-5(4)11-12-6/h1-3H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 240.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 57367517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).