6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

C15H21N3O4S — CID 146109220

IUPAC6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(S(=O)(=O)c1ccnn1C1CCC1)CC2
InChIInChI=1S/C15H21N3O4S/c19-14(20)12-10-15(12)5-8-17(9-6-15)23(21,22)13-4-7-16-18(13)11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,19,20)
InChIKeyGACFEIFENHJFMS-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.48
Rot. Bonds4

About 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 146109220) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID146109220
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(S(=O)(=O)c1ccnn1C1CCC1)CC2
InChIInChI=1S/C15H21N3O4S/c19-14(20)12-10-15(12)5-8-17(9-6-15)23(21,22)13-4-7-16-18(13)11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,19,20)
InChIKeyGACFEIFENHJFMS-UHFFFAOYSA-N
XLogP1.48
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 146133509
6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 166237221
2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 154742968
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide
CID 146103569
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
CID 146106156
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130
2-(3,3-difluorocyclohexyl)pyrazole-3-carboxylic acid
CID 84736128
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 146109220) is 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(S(=O)(=O)c1ccnn1C1CCC1)CC2.
What is the InChIKey of 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is GACFEIFENHJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-14(20)12-10-15(12)5-8-17(9-6-15)23(21,22)13-4-7-16-18(13)11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,19,20).
What are the key properties of 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 339.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 146109220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).