3-(diethylsulfamoylamino)propanoic acid

C7H16N2O4S — CID 28783572

IUPAC3-(diethylsulfamoylamino)propanoic acid
SMILESCCN(CC)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-9(4-2)14(12,13)8-6-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyHXPOPBMEHJPFRG-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.36
Rot. Bonds7

About 3-(diethylsulfamoylamino)propanoic acid

3-(diethylsulfamoylamino)propanoic acid (PubChem CID 28783572) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)propanoic acid
PubChem CID28783572
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-(diethylsulfamoylamino)propanoic acid
SMILESCCN(CC)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-9(4-2)14(12,13)8-6-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyHXPOPBMEHJPFRG-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bis-beta-alaninium sulfate
CID 167313259
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 114805726
3-[2,2-Difluoroethylsulfamoyl(methyl)amino]propanoic acid
CID 115405555
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-Amino-2-(dimethylsulfamoylamino)propanoic acid
CID 23223724
2-Amino-3-(dimethylsulfamoylamino)propanoic acid
CID 53905249
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

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)propanoic acid?
The IUPAC name of 3-(diethylsulfamoylamino)propanoic acid (CID 28783572) is 3-(diethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-(diethylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-(diethylsulfamoylamino)propanoic acid is CCN(CC)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(diethylsulfamoylamino)propanoic acid?
The InChIKey is HXPOPBMEHJPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-9(4-2)14(12,13)8-6-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-(diethylsulfamoylamino)propanoic acid?
3-(diethylsulfamoylamino)propanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 28783572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).