3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

C9H14N2O2S — CID 58720015

IUPAC3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCC(C)c1n[nH]c2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S/c1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyQMYLRZKHCDXMHE-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.00
Rot. Bonds1

About 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 58720015) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID58720015
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCC(C)c1n[nH]c2c1CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S/c1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyQMYLRZKHCDXMHE-UHFFFAOYSA-N
XLogP1.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 58720015) is 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.
What is the InChIKey of 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is QMYLRZKHCDXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 214.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 58720015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).