5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C14H21NO2S — CID 65072315

IUPAC5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCC(CC)CN1CCc2sccc2C1C(=O)O
InChIInChI=1S/C14H21NO2S/c1-3-10(4-2)9-15-7-5-12-11(6-8-18-12)13(15)14(16)17/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17)
InChIKeyCEUDCOWVGYVERP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.17
Rot. Bonds5

About 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65072315) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65072315
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCCC(CC)CN1CCc2sccc2C1C(=O)O
InChIInChI=1S/C14H21NO2S/c1-3-10(4-2)9-15-7-5-12-11(6-8-18-12)13(15)14(16)17/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17)
InChIKeyCEUDCOWVGYVERP-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237
5-hexan-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114079827
5-(2-cyano-3,3,3-trifluoropropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103371525
5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62627341
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
5-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 116616773
5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65071713
5-[2-(1-methylimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114528732
5-[(5-nitrothiophen-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65071912
5-[(5-bromo-2-hydroxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107740151
5-[(2,5-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65316699
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65072315) is 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CCC(CC)CN1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is CEUDCOWVGYVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-10(4-2)9-15-7-5-12-11(6-8-18-12)13(15)14(16)17/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).