4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid

C10H15NO6S2 — CID 113494489

IUPAC4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCCS(=O)CCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C10H15NO6S2/c1-3-18(14)5-4-11-19(15,16)9-6-8(10(12)13)17-7(9)2/h6,11H,3-5H2,1-2H3,(H,12,13)
InChIKeySBMCSLBISYHEFL-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.33
Rot. Bonds7

About 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 113494489) has the molecular formula C10H15NO6S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID113494489
Molecular FormulaC10H15NO6S2
Molecular Weight309.37 g/mol
Exact Mass309.03
IUPAC Name4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCCS(=O)CCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C10H15NO6S2/c1-3-18(14)5-4-11-19(15,16)9-6-8(10(12)13)17-7(9)2/h6,11H,3-5H2,1-2H3,(H,12,13)
InChIKeySBMCSLBISYHEFL-UHFFFAOYSA-N
XLogP0.33
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 113494489) is 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid is CCS(=O)CCNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is SBMCSLBISYHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S2/c1-3-18(14)5-4-11-19(15,16)9-6-8(10(12)13)17-7(9)2/h6,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 113494489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).