5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid

C12H17NO6S — CID 62804859

IUPAC5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C12H17NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13-6-9-3-2-4-18-7-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyFWUJURIOTSQXLA-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.99
Rot. Bonds5

About 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62804859) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62804859
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C12H17NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13-6-9-3-2-4-18-7-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyFWUJURIOTSQXLA-UHFFFAOYSA-N
XLogP0.99
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
2,5-dibromo-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80708344
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 63296235
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449
5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016485
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 62804859) is 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCC1CCCOC1.
What is the InChIKey of 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is FWUJURIOTSQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8-11(5-10(19-8)12(14)15)20(16,17)13-6-9-3-2-4-18-7-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62804859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).