5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid

C11H11NO2S — CID 69242170

IUPAC5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)C1=C(CCN1)CC2
InChIInChI=1S/C11H11NO2S/c13-11(14)8-5-7-2-1-6-3-4-12-9(6)10(7)15-8/h5,12H,1-4H2,(H,13,14)
InChIKeyPWGBDFSCGFIYHA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.10
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid

5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid (PubChem CID 69242170) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid
PubChem CID69242170
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)C1=C(CCN1)CC2
InChIInChI=1S/C11H11NO2S/c13-11(14)8-5-7-2-1-6-3-4-12-9(6)10(7)15-8/h5,12H,1-4H2,(H,13,14)
InChIKeyPWGBDFSCGFIYHA-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H,7H-thieno[2,3-c]pyridine-2-carboxylic acid hydrochloride
CID 137951220
5-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-thiophene-2-carboxylic acid
CID 619428
methyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylate
CID 18697868
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid hydrochloride
CID 68643989
5-[[(4-Fluorophenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 20890237
4-[2-[(3-Methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 43233742
5-(Pyrrolidin-2-yl)thiophene-2-carboxylic acid hydrochloride
CID 47000651
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-2-carboxylic acid hydroc+
CID 91666213
7-oxo-6H,7H-thieno(2,3-c)pyridine-2-carboxylic acid
CID 121553900
5-[(1-Phenylethylamino)methyl]thiophene-2-carboxylic acid
CID 6623397
5-[(2-Phenylethylamino)methyl]thiophene-2-carboxylic acid
CID 6623434
5-{[(1-Methyl-3-phenylpropyl)amino]methyl}thiophene-2-carboxylic acid
CID 6623435

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid (CID 69242170) is 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid is O=C(O)c1cc2c(s1)C1=C(CCN1)CC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid?
The InChIKey is PWGBDFSCGFIYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-11(14)8-5-7-2-1-6-3-4-12-9(6)10(7)15-8/h5,12H,1-4H2,(H,13,14).
What are the key properties of 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid?
5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-thieno[3,2-g]indole-2-carboxylic acid is sourced from PubChem (CID 69242170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).