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

C10H15NO5S — CID 62804138

IUPAC5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C10H15NO5S/c1-4-5-11(3)17(14,15)9-6-8(10(12)13)16-7(9)2/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXARPWZCVVOQKGA-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.32
Rot. Bonds5

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

5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62804138) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62804138
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C10H15NO5S/c1-4-5-11(3)17(14,15)9-6-8(10(12)13)16-7(9)2/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXARPWZCVVOQKGA-UHFFFAOYSA-N
XLogP1.32
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805254
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803631
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274669

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid (CID 62804138) is 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid is CCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is XARPWZCVVOQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-4-5-11(3)17(14,15)9-6-8(10(12)13)16-7(9)2/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62804138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).