5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid

C10H15NO6S — CID 62986254

IUPAC5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCOCCCN(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO6S/c1-11(6-3-7-16-2)18(14,15)9-5-4-8(17-9)10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyKAWLOPLBJLKRQL-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.63
Rot. Bonds7

About 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid

5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62986254) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62986254
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCOCCCN(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO6S/c1-11(6-3-7-16-2)18(14,15)9-5-4-8(17-9)10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyKAWLOPLBJLKRQL-UHFFFAOYSA-N
XLogP0.63
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 63207582
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 60951268
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 62986254) is 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid is COCCCN(C)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is KAWLOPLBJLKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-11(6-3-7-16-2)18(14,15)9-5-4-8(17-9)10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62986254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).