5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid

C12H17NO6S — CID 62803631

IUPAC5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H17NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13(2)9-3-5-18-6-4-9/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyDOPFFJFMMUCHCN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.09
Rot. Bonds4

About 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62803631) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62803631
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H17NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13(2)9-3-5-18-6-4-9/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyDOPFFJFMMUCHCN-UHFFFAOYSA-N
XLogP1.09
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
4-fluoro-3-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610883
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805254
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892
N-cyclopropyl-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65374093
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
2-hydroxy-5-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610875

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 62803631) is 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DOPFFJFMMUCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8-11(7-10(19-8)12(14)15)20(16,17)13(2)9-3-5-18-6-4-9/h7,9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).