3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid

C9H13NO5S — CID 43526885

IUPAC3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H13NO5S/c1-10(7-8-3-2-5-15-8)16(13,14)6-4-9(11)12/h2-3,5H,4,6-7H2,1H3,(H,11,12)
InChIKeyYXZDTMCLJUTKCZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.52
Rot. Bonds6

About 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid

3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid (PubChem CID 43526885) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
PubChem CID43526885
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
SMILESCN(Cc1ccco1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H13NO5S/c1-10(7-8-3-2-5-15-8)16(13,14)6-4-9(11)12/h2-3,5H,4,6-7H2,1H3,(H,11,12)
InChIKeyYXZDTMCLJUTKCZ-UHFFFAOYSA-N
XLogP0.52
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
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-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
3-[(3-bromophenyl)methyl-methylsulfamoyl]propanoic acid
CID 61041127
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
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 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid (CID 43526885) is 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid is CN(Cc1ccco1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is YXZDTMCLJUTKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-10(7-8-3-2-5-15-8)16(13,14)6-4-9(11)12/h2-3,5H,4,6-7H2,1H3,(H,11,12).
What are the key properties of 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid?
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 247.27 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43526885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).