5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C8H13N3O2S — CID 59050152

IUPAC5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CS(=O)(=O)C2
InChIInChI=1S/C8H13N3O2S/c1-5(2)11-8(9)6-3-14(12,13)4-7(6)10-11/h5H,3-4,9H2,1-2H3
InChIKeyFLVQVABXCJOSQQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.47
Rot. Bonds1

About 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 59050152) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID59050152
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CS(=O)(=O)C2
InChIInChI=1S/C8H13N3O2S/c1-5(2)11-8(9)6-3-14(12,13)4-7(6)10-11/h5H,3-4,9H2,1-2H3
InChIKeyFLVQVABXCJOSQQ-UHFFFAOYSA-N
XLogP0.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
2-Methyl-2,6-dihydro-4H-thieno(3,4-c)pyrazol-3-amine
CID 45121297
2-tert-Butyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-ylamine
CID 2049329
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850
N,N,3-trimethyl-1-(2-methylpropyl)-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 72045679
1-(1,1-Dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43159021
1-(1,1-Dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43670928
1-(1,1-Dioxothiolan-3-yl)-4-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 116228741
2-Butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 15358849
2-Ethyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 100917390
3-(5-Amino-3,4-dimethyl-1h-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 43159025
2-Propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 59050134

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 59050152) is 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is CC(C)n1nc2c(c1N)CS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is FLVQVABXCJOSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)11-8(9)6-3-14(12,13)4-7(6)10-11/h5H,3-4,9H2,1-2H3.
What are the key properties of 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 215.28 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 59050152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).