3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid

C9H13NO5S — CID 43535671

IUPAC3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)CCC(=O)O)c1ccco1
InChIInChI=1S/C9H13NO5S/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12)
InChIKeySWDCVFSVTMGATC-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.73
Rot. Bonds6

About 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid

3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid (PubChem CID 43535671) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
PubChem CID43535671
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)CCC(=O)O)c1ccco1
InChIInChI=1S/C9H13NO5S/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12)
InChIKeySWDCVFSVTMGATC-UHFFFAOYSA-N
XLogP0.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81408035
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid (CID 43535671) is 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid is CC(NS(=O)(=O)CCC(=O)O)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid?
The InChIKey is SWDCVFSVTMGATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-7(8-3-2-5-15-8)10-16(13,14)6-4-9(11)12/h2-3,5,7,10H,4,6H2,1H3,(H,11,12).
What are the key properties of 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid?
3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid has a molecular weight of 247.27 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 43535671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).