4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid

C9H11NO4S3 — CID 27241967

IUPAC4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCSCC2)cs1
InChIInChI=1S/C9H11NO4S3/c11-9(12)8-5-7(6-16-8)17(13,14)10-1-3-15-4-2-10/h5-6H,1-4H2,(H,11,12)
InChIKeyBVWHUBWWKXGRAI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.18
Rot. Bonds3

About 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid

4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid (PubChem CID 27241967) has the molecular formula C9H11NO4S3 and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid
PubChem CID27241967
Molecular FormulaC9H11NO4S3
Molecular Weight293.39 g/mol
Exact Mass292.99
IUPAC Name4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCSCC2)cs1
InChIInChI=1S/C9H11NO4S3/c11-9(12)8-5-7(6-16-8)17(13,14)10-1-3-15-4-2-10/h5-6H,1-4H2,(H,11,12)
InChIKeyBVWHUBWWKXGRAI-UHFFFAOYSA-N
XLogP1.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid (CID 27241967) is 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCSCC2)cs1.
What is the InChIKey of 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The InChIKey is BVWHUBWWKXGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S3/c11-9(12)8-5-7(6-16-8)17(13,14)10-1-3-15-4-2-10/h5-6H,1-4H2,(H,11,12).
What are the key properties of 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid?
4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylsulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 27241967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).