7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid

C13H13NO3S — CID 121427368

IUPAC7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(N3CCOCC3)c2s1
InChIInChI=1S/C13H13NO3S/c15-13(16)11-8-9-2-1-3-10(12(9)18-11)14-4-6-17-7-5-14/h1-3,8H,4-7H2,(H,15,16)
InChIKeyKCMJSASWNTWSRN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.44
Rot. Bonds2

About 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid

7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid (PubChem CID 121427368) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
PubChem CID121427368
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(N3CCOCC3)c2s1
InChIInChI=1S/C13H13NO3S/c15-13(16)11-8-9-2-1-3-10(12(9)18-11)14-4-6-17-7-5-14/h1-3,8H,4-7H2,(H,15,16)
InChIKeyKCMJSASWNTWSRN-UHFFFAOYSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-bromo-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 129160714
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(2-morpholin-4-ylphenyl)-1-benzothiophene-2-carboxamide
CID 58675264
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
2-iodo-6-morpholin-4-ylbenzoic acid
CID 171316340
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[7-(4-morpholin-4-ylphenyl)-1-benzothiophen-2-yl]ethanone
CID 58485558
N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9459810
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid (CID 121427368) is 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid is O=C(O)c1cc2cccc(N3CCOCC3)c2s1.
What is the InChIKey of 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid?
The InChIKey is KCMJSASWNTWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-13(16)11-8-9-2-1-3-10(12(9)18-11)14-4-6-17-7-5-14/h1-3,8H,4-7H2,(H,15,16).
What are the key properties of 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid?
7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 121427368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).