5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C15H21NO2S — CID 65072210

IUPAC5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC(C1CCCC1)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C15H21NO2S/c1-10(11-4-2-3-5-11)16-8-6-13-12(7-9-19-13)14(16)15(17)18/h7,9-11,14H,2-6,8H2,1H3,(H,17,18)
InChIKeyNMXVXDUWYDZYSL-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.31
Rot. Bonds3

About 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65072210) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65072210
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC(C1CCCC1)N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C15H21NO2S/c1-10(11-4-2-3-5-11)16-8-6-13-12(7-9-19-13)14(16)15(17)18/h7,9-11,14H,2-6,8H2,1H3,(H,17,18)
InChIKeyNMXVXDUWYDZYSL-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
5-hexan-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114079827
2-(1-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067131
5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62627341
5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 112602093
5-(2-methylthian-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 79950986
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072315
5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 79862790
5-(methylsulfonylmethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 82839318
5-[(2R)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 104901093
5-[(Z)-3-chloro-2-methylprop-2-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 106439237
5-(1,1-dioxothian-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072313

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 65072210) is 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CC(C1CCCC1)N1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is NMXVXDUWYDZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10(11-4-2-3-5-11)16-8-6-13-12(7-9-19-13)14(16)15(17)18/h7,9-11,14H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 279.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65072210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).