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

C13H17NO3S — CID 55056411

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCc3sccc3C2)CCOC1
InChIInChI=1S/C13H17NO3S/c15-12(16)13(3-5-17-9-13)8-14-4-1-11-10(7-14)2-6-18-11/h2,6H,1,3-5,7-9H2,(H,15,16)
InChIKeyPROQUCVMLOEDCD-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.60
Rot. Bonds3

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid (PubChem CID 55056411) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid
PubChem CID55056411
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCc3sccc3C2)CCOC1
InChIInChI=1S/C13H17NO3S/c15-12(16)13(3-5-17-9-13)8-14-4-1-11-10(7-14)2-6-18-11/h2,6H,1,3-5,7-9H2,(H,15,16)
InChIKeyPROQUCVMLOEDCD-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid (CID 55056411) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid is O=C(O)C1(CN2CCc3sccc3C2)CCOC1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid?
The InChIKey is PROQUCVMLOEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(16)13(3-5-17-9-13)8-14-4-1-11-10(7-14)2-6-18-11/h2,6H,1,3-5,7-9H2,(H,15,16).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 55056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).