4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

C13H21NO6S — CID 106252767

IUPAC4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H21NO6S/c1-4-13(5-2,8-15)7-14-21(18,19)11-6-10(12(16)17)20-9(11)3/h6,14-15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyFUQABVLUPWXDFA-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.36
Rot. Bonds8

About 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 106252767) has the molecular formula C13H21NO6S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID106252767
Molecular FormulaC13H21NO6S
Molecular Weight319.38 g/mol
Exact Mass319.11
IUPAC Name4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H21NO6S/c1-4-13(5-2,8-15)7-14-21(18,19)11-6-10(12(16)17)20-9(11)3/h6,14-15H,4-5,7-8H2,1-3H3,(H,16,17)
InChIKeyFUQABVLUPWXDFA-UHFFFAOYSA-N
XLogP1.36
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid with MolForge

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Related Compounds

5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106168460
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115358240
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 106252767) is 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is CCC(CC)(CO)CNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is FUQABVLUPWXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6S/c1-4-13(5-2,8-15)7-14-21(18,19)11-6-10(12(16)17)20-9(11)3/h6,14-15H,4-5,7-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 106252767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).