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

C14H19NO3S — CID 55055553

IUPAC3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1c2ccsc2CCN1CC1(C(=O)O)CCOC1
InChIInChI=1S/C14H19NO3S/c1-10-11-3-7-19-12(11)2-5-15(10)8-14(13(16)17)4-6-18-9-14/h3,7,10H,2,4-6,8-9H2,1H3,(H,16,17)
InChIKeyFTWHVJMFSUSGOE-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.16
Rot. Bonds3

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

3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 55055553) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid
PubChem CID55055553
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1c2ccsc2CCN1CC1(C(=O)O)CCOC1
InChIInChI=1S/C14H19NO3S/c1-10-11-3-7-19-12(11)2-5-15(10)8-14(13(16)17)4-6-18-9-14/h3,7,10H,2,4-6,8-9H2,1H3,(H,16,17)
InChIKeyFTWHVJMFSUSGOE-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-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 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid (CID 55055553) is 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid is CC1c2ccsc2CCN1CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is FTWHVJMFSUSGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-11-3-7-19-12(11)2-5-15(10)8-14(13(16)17)4-6-18-9-14/h3,7,10H,2,4-6,8-9H2,1H3,(H,16,17).
What are the key properties of 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid?
3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).