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

C7H10N2O2S — CID 130250704

IUPAC1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
SMILESCn1ncc2c1CCS(=O)(=O)C2
InChIInChI=1S/C7H10N2O2S/c1-9-7-2-3-12(10,11)5-6(7)4-8-9/h4H,2-3,5H2,1H3
InChIKeyXMAAABVVRHOKBG-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.11
Rot. Bonds

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

1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide (PubChem CID 130250704) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
PubChem CID130250704
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
SMILESCn1ncc2c1CCS(=O)(=O)C2
InChIInChI=1S/C7H10N2O2S/c1-9-7-2-3-12(10,11)5-6(7)4-8-9/h4H,2-3,5H2,1H3
InChIKeyXMAAABVVRHOKBG-UHFFFAOYSA-N
XLogP-0.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 86238304
1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-amine
CID 145320207
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine 2,2-dioxide
CID 130251228
3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
CID 14128508
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-5-ium
CID 86306459
5-methoxy-1-methyl-4,5,6,7-tetrahydroindazole
CID 83414585
1-methyl-5,7-dihydro-4H-pyrazolo[4,5-c]pyridin-6-one
CID 130251334
5,11-dimethyl-4,5,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene
CID 14128511
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 172748797
N-[(1,1-dioxothiolan-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 54915682

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The IUPAC name of 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide (CID 130250704) is 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide.
What is the SMILES notation for 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The canonical SMILES for 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide is Cn1ncc2c1CCS(=O)(=O)C2.
What is the InChIKey of 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
The InChIKey is XMAAABVVRHOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-9-7-2-3-12(10,11)5-6(7)4-8-9/h4H,2-3,5H2,1H3.
What are the key properties of 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide?
1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide has a molecular weight of 186.24 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide is sourced from PubChem (CID 130250704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).