7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one

C13H19N3O3S — CID 169144062

IUPAC7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)CC(=O)C3)n(C)n1
InChIInChI=1S/C13H19N3O3S/c1-10-7-12(15(2)14-10)20(18,19)16-5-3-13(4-6-16)8-11(17)9-13/h7H,3-6,8-9H2,1-2H3
InChIKeyQABAQJSBEQTSLT-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.86
Rot. Bonds2

About 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one

7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one (PubChem CID 169144062) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one
PubChem CID169144062
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one
SMILESCc1cc(S(=O)(=O)N2CCC3(CC2)CC(=O)C3)n(C)n1
InChIInChI=1S/C13H19N3O3S/c1-10-7-12(15(2)14-10)20(18,19)16-5-3-13(4-6-16)8-11(17)9-13/h7H,3-6,8-9H2,1-2H3
InChIKeyQABAQJSBEQTSLT-UHFFFAOYSA-N
XLogP0.86
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one?
The IUPAC name of 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one (CID 169144062) is 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one is Cc1cc(S(=O)(=O)N2CCC3(CC2)CC(=O)C3)n(C)n1.
What is the InChIKey of 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one?
The InChIKey is QABAQJSBEQTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-7-12(15(2)14-10)20(18,19)16-5-3-13(4-6-16)8-11(17)9-13/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one?
7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 169144062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).