N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C11H17N3O3S — CID 4202207

IUPACN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2
InChIInChI=1S/C11H17N3O3S/c1-7(15)12-10-8-5-18(16,17)6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15)
InChIKeyTTYVFLCIKJBJQJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.02
Rot. Bonds1

About N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 4202207) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID4202207
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2
InChIInChI=1S/C11H17N3O3S/c1-7(15)12-10-8-5-18(16,17)6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15)
InChIKeyTTYVFLCIKJBJQJ-UHFFFAOYSA-N
XLogP1.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 4202207) is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is CC(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is TTYVFLCIKJBJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(15)12-10-8-5-18(16,17)6-9(8)13-14(10)11(2,3)4/h5-6H2,1-4H3,(H,12,15).
What are the key properties of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 271.34 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 4202207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).