3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid

C12H17NO2S — CID 62272475

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCc2sccc2C1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15)8-13-5-3-10-9(7-13)4-6-16-10/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyKBJYPNGTICXETJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.22
Rot. Bonds3

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid (PubChem CID 62272475) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
PubChem CID62272475
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCc2sccc2C1)C(=O)O
InChIInChI=1S/C12H17NO2S/c1-12(2,11(14)15)8-13-5-3-10-9(7-13)4-6-16-10/h4,6H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyKBJYPNGTICXETJ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
(E)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
CID 62344122
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutanoic acid
CID 82236381
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid;hydrochloride
CID 68503276
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65005365

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid (CID 62272475) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCc2sccc2C1)C(=O)O.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid?
The InChIKey is KBJYPNGTICXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,11(14)15)8-13-5-3-10-9(7-13)4-6-16-10/h4,6H,3,5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid has a molecular weight of 239.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62272475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).