3-(diethylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 43172102

IUPAC3-(diethylsulfamoylamino)butanoic acid
SMILESCCN(CC)S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-7(3)6-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyMGIRJRKZRNQDCF-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.03
Rot. Bonds7

About 3-(diethylsulfamoylamino)butanoic acid

3-(diethylsulfamoylamino)butanoic acid (PubChem CID 43172102) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)butanoic acid
PubChem CID43172102
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-(diethylsulfamoylamino)butanoic acid
SMILESCCN(CC)S(=O)(=O)NC(C)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-7(3)6-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyMGIRJRKZRNQDCF-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 113636771
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
2-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891136
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-Aminobutanoic acid;diethylazanium;chloride
CID 88219616
3-Amino-2-(diethylsulfamoylamino)propanoic acid
CID 88247820
CID 89455934
CID 89455934
CID 135564811
CID 135564811
2-Amino-3-[[ethyl-[2-(methylamino)ethyl]sulfamoyl]amino]propanoic acid
CID 155056488

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)butanoic acid?
The IUPAC name of 3-(diethylsulfamoylamino)butanoic acid (CID 43172102) is 3-(diethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-(diethylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-(diethylsulfamoylamino)butanoic acid is CCN(CC)S(=O)(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-(diethylsulfamoylamino)butanoic acid?
The InChIKey is MGIRJRKZRNQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-7(3)6-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-(diethylsulfamoylamino)butanoic acid?
3-(diethylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 43172102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).