3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate

C10H22N2O4S — CID 28773681

IUPAC3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate
SMILESCC[NH+](CC)CCCNS(=O)(=O)CCC(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-3-12(4-2)8-5-7-11-17(15,16)9-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyNGJIQYNABHWWOJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP-2.64
Rot. Bonds10

About 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate

3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate (PubChem CID 28773681) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate.

Molecular Properties

Compound Name3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate
PubChem CID28773681
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate
SMILESCC[NH+](CC)CCCNS(=O)(=O)CCC(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-3-12(4-2)8-5-7-11-17(15,16)9-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyNGJIQYNABHWWOJ-UHFFFAOYSA-N
XLogP-2.64
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate?
The IUPAC name of 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate (CID 28773681) is 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate.
What is the SMILES notation for 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate?
The canonical SMILES for 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate is CC[NH+](CC)CCCNS(=O)(=O)CCC(=O)[O-].
What is the InChIKey of 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate?
The InChIKey is NGJIQYNABHWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-12(4-2)8-5-7-11-17(15,16)9-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate?
3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate has a molecular weight of 266.36 g/mol, XLogP of -2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylazaniumyl)propylsulfamoyl]propanoate is sourced from PubChem (CID 28773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).