4-(diethylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 28783619

IUPAC4-(diethylsulfamoylamino)butanoic acid
SMILESCCN(CC)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-10(4-2)15(13,14)9-7-5-6-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJMOQUJAHDXZZOK-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.03
Rot. Bonds8

About 4-(diethylsulfamoylamino)butanoic acid

4-(diethylsulfamoylamino)butanoic acid (PubChem CID 28783619) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(diethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(diethylsulfamoylamino)butanoic acid
PubChem CID28783619
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name4-(diethylsulfamoylamino)butanoic acid
SMILESCCN(CC)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-10(4-2)15(13,14)9-7-5-6-8(11)12/h9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJMOQUJAHDXZZOK-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
(2S)-2-amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123897
2-Amino-4-[3-(dimethylamino)propyl-(methylsulfamoyl)amino]butanoic acid
CID 89123899
4-(Aziridin-1-ylsulfonylamino)butanoic acid
CID 130470207
CID 141884320
CID 141884320
4-(3-Carboxypropylamino)butanoic acid;ethane
CID 143528218
(2S)-2-amino-4-[3-(dimethylamino)propyl-sulfamoylamino]butanoic acid
CID 144190651
Acetic acid;4-(ethylamino)butanoic acid
CID 172564729
4-aminobutanoic acid;N,N-diethylethanamine
CID 174394396
2-Amino-4-[2-methylpropyl(sulfamoyl)amino]butanoic acid
CID 174658777
(2S)-2-amino-4-[propan-2-yl(sulfamoyl)amino]butanoic acid
CID 174670403

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoylamino)butanoic acid?
The IUPAC name of 4-(diethylsulfamoylamino)butanoic acid (CID 28783619) is 4-(diethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 4-(diethylsulfamoylamino)butanoic acid?
The canonical SMILES for 4-(diethylsulfamoylamino)butanoic acid is CCN(CC)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(diethylsulfamoylamino)butanoic acid?
The InChIKey is JMOQUJAHDXZZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-10(4-2)15(13,14)9-7-5-6-8(11)12/h9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-(diethylsulfamoylamino)butanoic acid?
4-(diethylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 28783619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).