5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid

C10H11NO5S2 — CID 168726746

IUPAC5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CC3(CCO3)C2)c1
InChIInChI=1S/C10H11NO5S2/c12-9(13)7-3-8(17-4-7)18(14,15)11-5-10(6-11)1-2-16-10/h3-4H,1-2,5-6H2,(H,12,13)
InChIKeyJCLACHABYWDQEF-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.61
Rot. Bonds3

About 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid

5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid (PubChem CID 168726746) has the molecular formula C10H11NO5S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid
PubChem CID168726746
Molecular FormulaC10H11NO5S2
Molecular Weight289.33 g/mol
Exact Mass289.01
IUPAC Name5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CC3(CCO3)C2)c1
InChIInChI=1S/C10H11NO5S2/c12-9(13)7-3-8(17-4-7)18(14,15)11-5-10(6-11)1-2-16-10/h3-4H,1-2,5-6H2,(H,12,13)
InChIKeyJCLACHABYWDQEF-UHFFFAOYSA-N
XLogP0.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid (CID 168726746) is 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CC3(CCO3)C2)c1.
What is the InChIKey of 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid?
The InChIKey is JCLACHABYWDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S2/c12-9(13)7-3-8(17-4-7)18(14,15)11-5-10(6-11)1-2-16-10/h3-4H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid?
5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 168726746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).