4-[3-(diethylamino)propylsulfamoyl]butanoic acid

C11H24N2O4S — CID 28773684

IUPAC4-[3-(diethylamino)propylsulfamoyl]butanoic acid
SMILESCCN(CC)CCCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-3-13(4-2)9-6-8-12-18(16,17)10-5-7-11(14)15/h12H,3-10H2,1-2H3,(H,14,15)
InChIKeyRGMOWMKXPWSTQT-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.50
Rot. Bonds11

About 4-[3-(diethylamino)propylsulfamoyl]butanoic acid

4-[3-(diethylamino)propylsulfamoyl]butanoic acid (PubChem CID 28773684) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)propylsulfamoyl]butanoic acid
PubChem CID28773684
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name4-[3-(diethylamino)propylsulfamoyl]butanoic acid
SMILESCCN(CC)CCCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H24N2O4S/c1-3-13(4-2)9-6-8-12-18(16,17)10-5-7-11(14)15/h12H,3-10H2,1-2H3,(H,14,15)
InChIKeyRGMOWMKXPWSTQT-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylsulfamoyl]butanoic acid?
The IUPAC name of 4-[3-(diethylamino)propylsulfamoyl]butanoic acid (CID 28773684) is 4-[3-(diethylamino)propylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[3-(diethylamino)propylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[3-(diethylamino)propylsulfamoyl]butanoic acid is CCN(CC)CCCNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[3-(diethylamino)propylsulfamoyl]butanoic acid?
The InChIKey is RGMOWMKXPWSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-3-13(4-2)9-6-8-12-18(16,17)10-5-7-11(14)15/h12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(diethylamino)propylsulfamoyl]butanoic acid?
4-[3-(diethylamino)propylsulfamoyl]butanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylsulfamoyl]butanoic acid is sourced from PubChem (CID 28773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).