3-(2-ethylhexylsulfamoyl)propanoic acid

C11H23NO4S — CID 23461310

IUPAC3-(2-ethylhexylsulfamoyl)propanoic acid
SMILESCCCCC(CC)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyXQWJUQUJZISMNE-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.60
Rot. Bonds10

About 3-(2-ethylhexylsulfamoyl)propanoic acid

3-(2-ethylhexylsulfamoyl)propanoic acid (PubChem CID 23461310) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(2-ethylhexylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethylhexylsulfamoyl)propanoic acid
PubChem CID23461310
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-(2-ethylhexylsulfamoyl)propanoic acid
SMILESCCCCC(CC)CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyXQWJUQUJZISMNE-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylsulfamoyl)propanoic acid?
The IUPAC name of 3-(2-ethylhexylsulfamoyl)propanoic acid (CID 23461310) is 3-(2-ethylhexylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(2-ethylhexylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(2-ethylhexylsulfamoyl)propanoic acid is CCCCC(CC)CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2-ethylhexylsulfamoyl)propanoic acid?
The InChIKey is XQWJUQUJZISMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-5-6-10(4-2)9-12-17(15,16)8-7-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethylhexylsulfamoyl)propanoic acid?
3-(2-ethylhexylsulfamoyl)propanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylsulfamoyl)propanoic acid is sourced from PubChem (CID 23461310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).