2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid

C14H15NO3S — CID 117172959

IUPAC2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
SMILESO=C(O)c1cccc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15NO3S/c16-14(17)11-2-1-3-13-12(11)8-10(19-13)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2,(H,16,17)
InChIKeyUYELHPAKNSAGGZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.43
Rot. Bonds3

About 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid

2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid (PubChem CID 117172959) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
PubChem CID117172959
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
SMILESO=C(O)c1cccc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C14H15NO3S/c16-14(17)11-2-1-3-13-12(11)8-10(19-13)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2,(H,16,17)
InChIKeyUYELHPAKNSAGGZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131887032
CID 131887032
1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
CID 117172774
2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
CID 144848835
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
CID 174515356
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
CID 170870855
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
2-[2-(oxan-4-yl)prop-2-enylcarbamoyl]-1-benzothiophene-4-carboxylic acid
CID 167907738
3-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophene-4-carboxylic acid
CID 117170749

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid (CID 117172959) is 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid is O=C(O)c1cccc2sc(CN3CCOCC3)cc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid?
The InChIKey is UYELHPAKNSAGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(17)11-2-1-3-13-12(11)8-10(19-13)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2,(H,16,17).
What are the key properties of 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid?
2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid is sourced from PubChem (CID 117172959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).