3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid

C9H11NO5S2 — CID 9361763

IUPAC3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H11NO5S2/c11-9(12)8-7(1-6-16-8)17(13,14)10-2-4-15-5-3-10/h1,6H,2-5H2,(H,11,12)
InChIKeyVMQOYLZOIIFQBE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.47
Rot. Bonds3

About 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid

3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid (PubChem CID 9361763) has the molecular formula C9H11NO5S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
PubChem CID9361763
Molecular FormulaC9H11NO5S2
Molecular Weight277.32 g/mol
Exact Mass277.01
IUPAC Name3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H11NO5S2/c11-9(12)8-7(1-6-16-8)17(13,14)10-2-4-15-5-3-10/h1,6H,2-5H2,(H,11,12)
InChIKeyVMQOYLZOIIFQBE-UHFFFAOYSA-N
XLogP0.47
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1509012
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CID 16227157
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CID 25219448
CID 25219448
CID 43146630
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CID 43329029
CID 43329029
CID 43329031
CID 43329031
CID 706587
CID 706587
CID 1253148
CID 1253148
CID 3696003
CID 3696003
CID 8033933
CID 8033933

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid (CID 9361763) is 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The InChIKey is VMQOYLZOIIFQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S2/c11-9(12)8-7(1-6-16-8)17(13,14)10-2-4-15-5-3-10/h1,6H,2-5H2,(H,11,12).
What are the key properties of 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 9361763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).