3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide

C9H14N2O3S — CID 59050155

IUPAC3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
SMILESCOc1c2c(nn1C(C)C)CS(=O)(=O)C2
InChIInChI=1S/C9H14N2O3S/c1-6(2)11-9(14-3)7-4-15(12,13)5-8(7)10-11/h6H,4-5H2,1-3H3
InChIKeyQAJKTHJWCRKCGJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.90
Rot. Bonds2

About 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide

3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide (PubChem CID 59050155) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
PubChem CID59050155
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
SMILESCOc1c2c(nn1C(C)C)CS(=O)(=O)C2
InChIInChI=1S/C9H14N2O3S/c1-6(2)11-9(14-3)7-4-15(12,13)5-8(7)10-11/h6H,4-5H2,1-3H3
InChIKeyQAJKTHJWCRKCGJ-UHFFFAOYSA-N
XLogP0.90
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide?
The IUPAC name of 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide (CID 59050155) is 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide?
The canonical SMILES for 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide is COc1c2c(nn1C(C)C)CS(=O)(=O)C2.
What is the InChIKey of 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide?
The InChIKey is QAJKTHJWCRKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6(2)11-9(14-3)7-4-15(12,13)5-8(7)10-11/h6H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide?
3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide has a molecular weight of 230.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-yl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 59050155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).