3-[3-(dimethylamino)propylsulfamoyl]propanoic acid

C8H18N2O4S — CID 28773782

IUPAC3-[3-(dimethylamino)propylsulfamoyl]propanoic acid
SMILESCN(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-0.67
Rot. Bonds8

About 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid

3-[3-(dimethylamino)propylsulfamoyl]propanoic acid (PubChem CID 28773782) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylsulfamoyl]propanoic acid
PubChem CID28773782
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[3-(dimethylamino)propylsulfamoyl]propanoic acid
SMILESCN(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-0.67
TPSA86.71 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 ≤ 5-0.67
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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Related Compounds

3-[2-(Dimethylamino)ethylsulfamoyl]propanoic acid
CID 28773454
3-(3-Aminopropylsulfamoyl)propanoic acid
CID 61458741
3-[2-[Methyl(propan-2-yl)amino]ethylsulfamoyl]propanoic acid
CID 62642533
(2S)-2-amino-4-[3-(dimethylamino)propylsulfamoyl]butanoic acid
CID 87289655
2-Amino-4-[3-(dimethylamino)propylsulfamoyl]butanoic acid
CID 87289657
(2S)-2-amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid
CID 87289703
(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
CID 89124099
2-Amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
CID 89124102
(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid
CID 89124131
2-Amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid
CID 89124134
2-Amino-4-[3-(dimethylamino)propyl-methylsulfamoyl]butanoic acid
CID 89124169
(2R)-2-amino-3-[3-(dimethylamino)propylsulfamoyl]propanoic acid
CID 89124241

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid (CID 28773782) is 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid is CN(C)CCCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid?
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-(dimethylamino)propylsulfamoyl]propanoic acid?
3-[3-(dimethylamino)propylsulfamoyl]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylsulfamoyl]propanoic acid is sourced from PubChem (CID 28773782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).