6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C9H15N3O2S — CID 105486952

IUPAC6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CCS(=O)(=O)C2
InChIInChI=1S/C9H15N3O2S/c1-6(2)12-9(10)7-3-4-15(13,14)5-8(7)11-12/h6H,3-5,10H2,1-2H3
InChIKeyHPGUTODRDHUUHZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.52
Rot. Bonds1

About 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 105486952) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID105486952
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCC(C)n1nc2c(c1N)CCS(=O)(=O)C2
InChIInChI=1S/C9H15N3O2S/c1-6(2)12-9(10)7-3-4-15(13,14)5-8(7)11-12/h6H,3-5,10H2,1-2H3
InChIKeyHPGUTODRDHUUHZ-UHFFFAOYSA-N
XLogP0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine with MolForge

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Related Compounds

2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862794
3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 59050155
1-(2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-yl)ethanone
CID 105485518
(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
CID 82391352
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 105466719
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbaldehyde
CID 105452702
2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 105447284
6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 63548744
(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117
(2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanol
CID 121214505

Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 105486952) is 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is CC(C)n1nc2c(c1N)CCS(=O)(=O)C2.
What is the InChIKey of 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is HPGUTODRDHUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)12-9(10)7-3-4-15(13,14)5-8(7)11-12/h6H,3-5,10H2,1-2H3.
What are the key properties of 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 229.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105486952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).