5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C15H20N2O2S — CID 105366195

IUPAC5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2ccsc2CCN1C1CCN2CCC1C2
InChIInChI=1S/C15H20N2O2S/c18-15(19)14-11-4-8-20-13(11)3-7-17(14)12-2-6-16-5-1-10(12)9-16/h4,8,10,12,14H,1-3,5-7,9H2,(H,18,19)
InChIKeyVGPQYBYWLMOLDK-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.83
Rot. Bonds2

About 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 105366195) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID105366195
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2ccsc2CCN1C1CCN2CCC1C2
InChIInChI=1S/C15H20N2O2S/c18-15(19)14-11-4-8-20-13(11)3-7-17(14)12-2-6-16-5-1-10(12)9-16/h4,8,10,12,14H,1-3,5-7,9H2,(H,18,19)
InChIKeyVGPQYBYWLMOLDK-UHFFFAOYSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

5-(2-methylthian-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 79950986
5-(1,1-dioxothian-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072313
5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 79862790
5-(3-ethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072268
5-hexan-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114079827
5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072210
5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103536135
5-[(2R)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 104901093
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072315
5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237
2-[3-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thiophen-2-yl]-2-oxoacetic acid
CID 122668892

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 105366195) is 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is O=C(O)C1c2ccsc2CCN1C1CCN2CCC1C2.
What is the InChIKey of 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is VGPQYBYWLMOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-15(19)14-11-4-8-20-13(11)3-7-17(14)12-2-6-16-5-1-10(12)9-16/h4,8,10,12,14H,1-3,5-7,9H2,(H,18,19).
What are the key properties of 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 105366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).