3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide

C7H10N2O2S — CID 58961117

IUPAC3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide
SMILESCc1[nH]nc2c1CCS(=O)(=O)C2
InChIInChI=1S/C7H10N2O2S/c1-5-6-2-3-12(10,11)4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyDHCDPFIJFZAZQP-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.19
Rot. Bonds

About 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide

3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide (PubChem CID 58961117) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide.

Molecular Properties

Compound Name3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide
PubChem CID58961117
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide
SMILESCc1[nH]nc2c1CCS(=O)(=O)C2
InChIInChI=1S/C7H10N2O2S/c1-5-6-2-3-12(10,11)4-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyDHCDPFIJFZAZQP-UHFFFAOYSA-N
XLogP0.19
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide?
The IUPAC name of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide (CID 58961117) is 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide.
What is the SMILES notation for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide?
The canonical SMILES for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide is Cc1[nH]nc2c1CCS(=O)(=O)C2.
What is the InChIKey of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide?
The InChIKey is DHCDPFIJFZAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-6-2-3-12(10,11)4-7(6)9-8-5/h2-4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide?
3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide has a molecular weight of 186.24 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide is sourced from PubChem (CID 58961117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).