3-[dimethylsulfamoyl(ethyl)amino]propanoic acid

C7H16N2O4S — CID 39246267

IUPAC3-[dimethylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O4S/c1-4-9(6-5-7(10)11)14(12,13)8(2)3/h4-6H2,1-3H3,(H,10,11)
InChIKeyAANBOMNSWOVLHN-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.41
Rot. Bonds6

About 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid

3-[dimethylsulfamoyl(ethyl)amino]propanoic acid (PubChem CID 39246267) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]propanoic acid
PubChem CID39246267
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O4S/c1-4-9(6-5-7(10)11)14(12,13)8(2)3/h4-6H2,1-3H3,(H,10,11)
InChIKeyAANBOMNSWOVLHN-UHFFFAOYSA-N
XLogP-0.41
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Fluorosulfonyl(methyl)amino]propanoic acid
CID 130266575
3-[Methyl-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684170
3-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684172
3-[[Butyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65685920
3-[Methyl-[propyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65685922
3-[[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65686339
3-[Methyl-[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65686888
3-[[2,2-Difluoroethyl(methyl)sulfamoyl]-methylamino]propanoic acid
CID 116314416
3-[2-Carboxyethyl(sulfinato)amino]-1-hydroxy-1-oxopropane
CID 57247497
3-[2-Carboxyethyl(methylsulfonyl)amino]propanoic acid
CID 58835758
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid (CID 39246267) is 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid?
The InChIKey is AANBOMNSWOVLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-9(6-5-7(10)11)14(12,13)8(2)3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid?
3-[dimethylsulfamoyl(ethyl)amino]propanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 39246267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).