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

C15H21NO2S — CID 79862790

IUPAC5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC1(C)CCCC1N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C15H21NO2S/c1-15(2)7-3-4-12(15)16-8-5-11-10(6-9-19-11)13(16)14(17)18/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyRMXSMCSGMMUGGT-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.31
Rot. Bonds2

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

5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 79862790) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID79862790
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCC1(C)CCCC1N1CCc2sccc2C1C(=O)O
InChIInChI=1S/C15H21NO2S/c1-15(2)7-3-4-12(15)16-8-5-11-10(6-9-19-11)13(16)14(17)18/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyRMXSMCSGMMUGGT-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(2-methylthian-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 79950986
5-(1-azabicyclo[3.2.1]octan-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 105366195
5-(1,1-dioxothian-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072313
5-(3-ethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072268
5-(1-cyclopentylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072210
5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103018511
5-[(2R)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 104901093
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
5-(2-ethylbutyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072315
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
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 79862790) is 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CC1(C)CCCC1N1CCc2sccc2C1C(=O)O.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is RMXSMCSGMMUGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(2)7-3-4-12(15)16-8-5-11-10(6-9-19-11)13(16)14(17)18/h6,9,12-13H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(2,2-dimethylcyclopentyl)-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, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 79862790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).