3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide

C8H12N2O2S — CID 118489298

IUPAC3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
SMILESCC(C)c1n[nH]c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H12N2O2S/c1-5(2)8-6-3-13(11,12)4-7(6)9-10-8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyITUCJYFMODXPCB-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.96
Rot. Bonds1

About 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide

3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide (PubChem CID 118489298) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
PubChem CID118489298
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
SMILESCC(C)c1n[nH]c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H12N2O2S/c1-5(2)8-6-3-13(11,12)4-7(6)9-10-8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyITUCJYFMODXPCB-UHFFFAOYSA-N
XLogP0.96
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The IUPAC name of 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide (CID 118489298) is 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The canonical SMILES for 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide is CC(C)c1n[nH]c2c1CS(=O)(=O)C2.
What is the InChIKey of 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
The InChIKey is ITUCJYFMODXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)8-6-3-13(11,12)4-7(6)9-10-8/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide?
3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide has a molecular weight of 200.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide is sourced from PubChem (CID 118489298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).