3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid

C15H17NO3S — CID 82364898

IUPAC3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1CCN1CCOCC1
InChIInChI=1S/C15H17NO3S/c17-15(18)14-12(5-6-16-7-9-19-10-8-16)11-3-1-2-4-13(11)20-14/h1-4H,5-10H2,(H,17,18)
InChIKeyXPQKDSKUILWPQL-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.47
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid

3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid (PubChem CID 82364898) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
PubChem CID82364898
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1CCN1CCOCC1
InChIInChI=1S/C15H17NO3S/c17-15(18)14-12(5-6-16-7-9-19-10-8-16)11-3-1-2-4-13(11)20-14/h1-4H,5-10H2,(H,17,18)
InChIKeyXPQKDSKUILWPQL-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
3-(oxan-4-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid
CID 62996399
3-(3-oxobutyl)-1-benzothiophene-2-carboxylic acid
CID 82364901
3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43542327
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
3-pentyl-1-benzothiophene-2-carboxylic acid
CID 82364876
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364863
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
CID 21127043
3-(oxetan-3-yloxymethyl)-1-benzothiophene-2-carboxylic acid
CID 102605350
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
3-prop-2-enyl-1-benzothiophene-2-carboxylic acid
CID 82364874

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid (CID 82364898) is 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2ccccc2c1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid?
The InChIKey is XPQKDSKUILWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-15(18)14-12(5-6-16-7-9-19-10-8-16)11-3-1-2-4-13(11)20-14/h1-4H,5-10H2,(H,17,18).
What are the key properties of 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid?
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 82364898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).