6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid

C17H22N2O3S — CID 142757405

IUPAC6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESCN1CC2(CC2)CC(C(=O)O)C1C(=O)N1CCc2ccsc2C1
InChIInChI=1S/C17H22N2O3S/c1-18-10-17(4-5-17)8-12(16(21)22)14(18)15(20)19-6-2-11-3-7-23-13(11)9-19/h3,7,12,14H,2,4-6,8-10H2,1H3,(H,21,22)
InChIKeyMZONQXWKPHWPSU-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.82
Rot. Bonds2

About 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid

6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 142757405) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID142757405
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESCN1CC2(CC2)CC(C(=O)O)C1C(=O)N1CCc2ccsc2C1
InChIInChI=1S/C17H22N2O3S/c1-18-10-17(4-5-17)8-12(16(21)22)14(18)15(20)19-6-2-11-3-7-23-13(11)9-19/h3,7,12,14H,2,4-6,8-10H2,1H3,(H,21,22)
InChIKeyMZONQXWKPHWPSU-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-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 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid (CID 142757405) is 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid is CN1CC2(CC2)CC(C(=O)O)C1C(=O)N1CCc2ccsc2C1.
What is the InChIKey of 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is MZONQXWKPHWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-18-10-17(4-5-17)8-12(16(21)22)14(18)15(20)19-6-2-11-3-7-23-13(11)9-19/h3,7,12,14H,2,4-6,8-10H2,1H3,(H,21,22).
What are the key properties of 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid?
6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 334.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl)-5-methyl-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 142757405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).