6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C11H13N3O3S — CID 119175147

IUPAC6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cnsn1)CC2
InChIInChI=1S/C11H13N3O3S/c15-9(8-6-12-18-13-8)14-3-1-11(2-4-14)5-7(11)10(16)17/h6-7H,1-5H2,(H,16,17)
InChIKeyCHAHQZILBLAUPF-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.87
Rot. Bonds2

About 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175147) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175147
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cnsn1)CC2
InChIInChI=1S/C11H13N3O3S/c15-9(8-6-12-18-13-8)14-3-1-11(2-4-14)5-7(11)10(16)17/h6-7H,1-5H2,(H,16,17)
InChIKeyCHAHQZILBLAUPF-UHFFFAOYSA-N
XLogP0.87
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 106671257
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
6-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514673
6-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514810
6-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174547
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
(3R,4R)-4-cyclopropyl-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120980113
6-(3-chloropyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514677
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175147) is 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1cnsn1)CC2.
What is the InChIKey of 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is CHAHQZILBLAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-9(8-6-12-18-13-8)14-3-1-11(2-4-14)5-7(11)10(16)17/h6-7H,1-5H2,(H,16,17).
What are the key properties of 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,5-thiadiazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).