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

C12H17NO2S — CID 28972330

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCc2sccc2C1
InChIInChI=1S/C12H17NO2S/c14-12(15)3-1-2-6-13-7-4-11-10(9-13)5-8-16-11/h5,8H,1-4,6-7,9H2,(H,14,15)
InChIKeyIZQVUZUGEOKBOL-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.36
Rot. Bonds5

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

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid (PubChem CID 28972330) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid
PubChem CID28972330
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCc2sccc2C1
InChIInChI=1S/C12H17NO2S/c14-12(15)3-1-2-6-13-7-4-11-10(9-13)5-8-16-11/h5,8H,1-4,6-7,9H2,(H,14,15)
InChIKeyIZQVUZUGEOKBOL-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid (CID 28972330) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid is O=C(O)CCCCN1CCc2sccc2C1.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid?
The InChIKey is IZQVUZUGEOKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(15)3-1-2-6-13-7-4-11-10(9-13)5-8-16-11/h5,8H,1-4,6-7,9H2,(H,14,15).
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid has a molecular weight of 239.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentanoic acid is sourced from PubChem (CID 28972330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).