5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid

C7H11NO4S — CID 130838276

IUPAC5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CCS(=O)(=O)C12CNC2
InChIInChI=1S/C7H11NO4S/c9-6(10)5-1-2-13(11,12)7(5)3-8-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyJCMKHTCGCKPMTR-UHFFFAOYSA-N
MW205.23 g/mol
LogP-1.15
Rot. Bonds1

About 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid

5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 130838276) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID130838276
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1CCS(=O)(=O)C12CNC2
InChIInChI=1S/C7H11NO4S/c9-6(10)5-1-2-13(11,12)7(5)3-8-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyJCMKHTCGCKPMTR-UHFFFAOYSA-N
XLogP-1.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 5,5-dioxo-5lambda6-thia-2-azaspiro(3.4)octane-8-carboxylate hydrochloride
CID 131664439
Methyl 5-thia-2-azaspiro[3.4]octane-8-carboxylate 5,5-dioxide
CID 121229927
8-Fluoro-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 165889314
2-Methylsulfonyl-5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 90414367
(8R)-5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 129321597
(8S)-5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 129321598
6,6-Dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 137955221
5-Thia-2-azaspiro[3.4]octane-8-carboxylic acid
CID 165738298
Ethyl 5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylate
CID 165892048
Tert-butyl 5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylate
CID 165902198
6,6-Dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid hydrochloride
CID 165938830

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid (CID 130838276) is 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid is O=C(O)C1CCS(=O)(=O)C12CNC2.
What is the InChIKey of 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is JCMKHTCGCKPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-6(10)5-1-2-13(11,12)7(5)3-8-4-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid?
5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 130838276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).