4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid

C10H15NO5S — CID 43526884

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H15NO5S/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyQVKDRIDGWQXCIE-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.91
Rot. Bonds7

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid

4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid (PubChem CID 43526884) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
PubChem CID43526884
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H15NO5S/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyQVKDRIDGWQXCIE-UHFFFAOYSA-N
XLogP0.91
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid (CID 43526884) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid is CN(Cc1ccco1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is QVKDRIDGWQXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-11(8-9-4-2-6-16-9)17(14,15)7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid?
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43526884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).