2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid

C13H21NO5S — CID 61463329

IUPAC2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H21NO5S/c1-6-7(2)8(3)14-20(17,18)12-10(5)19-9(4)11(12)13(15)16/h7-8,14H,6H2,1-5H3,(H,15,16)
InChIKeyGSVAAUWGOXKHGE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.31
Rot. Bonds6

About 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid (PubChem CID 61463329) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
PubChem CID61463329
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H21NO5S/c1-6-7(2)8(3)14-20(17,18)12-10(5)19-9(4)11(12)13(15)16/h7-8,14H,6H2,1-5H3,(H,15,16)
InChIKeyGSVAAUWGOXKHGE-UHFFFAOYSA-N
XLogP2.31
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106156117
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 64591193
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43499054
2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid
CID 104655208
2,5-dimethyl-4-[[(1S)-1-thiophen-2-ylethyl]sulfamoyl]furan-3-carboxylic acid
CID 81391276
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43546086
4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43371010
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid (CID 61463329) is 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid is CCC(C)C(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is GSVAAUWGOXKHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-6-7(2)8(3)14-20(17,18)12-10(5)19-9(4)11(12)13(15)16/h7-8,14H,6H2,1-5H3,(H,15,16).
What are the key properties of 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 61463329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).