5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid

C11H13NO6S2 — CID 104607707

IUPAC5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H13NO6S2/c1-20(16,17)9-6-19-3-2-12(9)10(13)8-4-7(5-18-8)11(14)15/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCBZKWRASHZYPCC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.54
Rot. Bonds3

About 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid

5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid (PubChem CID 104607707) has the molecular formula C11H13NO6S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
PubChem CID104607707
Molecular FormulaC11H13NO6S2
Molecular Weight319.36 g/mol
Exact Mass319.02
IUPAC Name5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C11H13NO6S2/c1-20(16,17)9-6-19-3-2-12(9)10(13)8-4-7(5-18-8)11(14)15/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCBZKWRASHZYPCC-UHFFFAOYSA-N
XLogP0.54
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383483
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
CID 119186354
2-methyl-5-(3-methylsulfonylthiomorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103749673
(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66370150
5-(1,4-thiazepane-4-carbonyl)furan-3-carboxylic acid
CID 104607264
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]ethanone
CID 124607385
(2-bromo-4-chlorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103765707
(3-bromo-2-pyridinyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107519120

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid (CID 104607707) is 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid is CS(=O)(=O)C1CSCCN1C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid?
The InChIKey is CBZKWRASHZYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6S2/c1-20(16,17)9-6-19-3-2-12(9)10(13)8-4-7(5-18-8)11(14)15/h4-5,9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid?
5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).