3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid

C11H11NO2S2 — CID 66113928

IUPAC3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
SMILESCC(CC(=O)O)Sc1nccc2sccc12
InChIInChI=1S/C11H11NO2S2/c1-7(6-10(13)14)16-11-8-3-5-15-9(8)2-4-12-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyCDBDTJKOLFIHJK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.25
Rot. Bonds4

About 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid

3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid (PubChem CID 66113928) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid.

Molecular Properties

Compound Name3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
PubChem CID66113928
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
SMILESCC(CC(=O)O)Sc1nccc2sccc12
InChIInChI=1S/C11H11NO2S2/c1-7(6-10(13)14)16-11-8-3-5-15-9(8)2-4-12-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyCDBDTJKOLFIHJK-UHFFFAOYSA-N
XLogP3.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxyisoquinolin-1-yl)sulfanylbutanoic acid
CID 106536837
3-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylsulfanyl)butanoic acid
CID 106536832
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726
3-[(3-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61319672
3-[(4-methyl-2-pyridinyl)sulfanyl]butanoic acid
CID 66113690
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
3-(4-tert-butyl-3-oxopyrazin-2-yl)sulfanylbutanoic acid
CID 66114580
methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107776910
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
CID 43522697
N-methyl-2-thieno[3,2-c]pyridin-4-yloxypropan-1-amine
CID 62348077
3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 66329437
4-(1-bromoethyl)thieno[3,2-c]pyridine
CID 70376593

Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid?
The IUPAC name of 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid (CID 66113928) is 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid.
What is the SMILES notation for 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid?
The canonical SMILES for 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid is CC(CC(=O)O)Sc1nccc2sccc12.
What is the InChIKey of 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid?
The InChIKey is CDBDTJKOLFIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7(6-10(13)14)16-11-8-3-5-15-9(8)2-4-12-11/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid?
3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid has a molecular weight of 253.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid is sourced from PubChem (CID 66113928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).