3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate

C8H18N2O4S — CID 28773781

IUPAC3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate
SMILESC[NH+](C)CCCNS(=O)(=O)CCC(=O)[O-]
InChIInChI=1S/C8H18N2O4S/c1-10(2)6-3-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHVJIWACNPLULHP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-3.42
Rot. Bonds8

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

3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate (PubChem CID 28773781) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate.

Molecular Properties

Compound Name3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate
PubChem CID28773781
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate
SMILESC[NH+](C)CCCNS(=O)(=O)CCC(=O)[O-]
InChIInChI=1S/C8H18N2O4S/c1-10(2)6-3-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHVJIWACNPLULHP-UHFFFAOYSA-N
XLogP-3.42
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-3.42
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 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate?
The IUPAC name of 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate (CID 28773781) is 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate.
What is the SMILES notation for 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate?
The canonical SMILES for 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate is C[NH+](C)CCCNS(=O)(=O)CCC(=O)[O-].
What is the InChIKey of 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate?
The InChIKey is HVJIWACNPLULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-10(2)6-3-5-9-15(13,14)7-4-8(11)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate?
3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate has a molecular weight of 238.31 g/mol, XLogP of -3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylazaniumyl)propylsulfamoyl]propanoate is sourced from PubChem (CID 28773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).