1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide

C8H12N2O2S — CID 118493342

IUPAC1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
SMILESCc1nn(C)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C8H12N2O2S/c1-6-7-5-13(11,12)4-3-8(7)10(2)9-6/h3-5H2,1-2H3
InChIKeyZJWZTRITFHOENN-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.20
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide

1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide (PubChem CID 118493342) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
PubChem CID118493342
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
SMILESCc1nn(C)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C8H12N2O2S/c1-6-7-5-13(11,12)4-3-8(7)10(2)9-6/h3-5H2,1-2H3
InChIKeyZJWZTRITFHOENN-UHFFFAOYSA-N
XLogP0.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide (CID 118493342) is 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide is Cc1nn(C)c2c1CS(=O)(=O)CC2.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The InChIKey is ZJWZTRITFHOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-7-5-13(11,12)4-3-8(7)10(2)9-6/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide has a molecular weight of 200.26 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide is sourced from PubChem (CID 118493342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).