4-[ethylsulfamoyl(methyl)amino]butanoic acid

C7H16N2O4S — CID 115776537

IUPAC4-[ethylsulfamoyl(methyl)amino]butanoic acid
SMILESCCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9(2)6-4-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyPYOBUFSWEVZPTC-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.36
Rot. Bonds7

About 4-[ethylsulfamoyl(methyl)amino]butanoic acid

4-[ethylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 115776537) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[ethylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethylsulfamoyl(methyl)amino]butanoic acid
PubChem CID115776537
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-[ethylsulfamoyl(methyl)amino]butanoic acid
SMILESCCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9(2)6-4-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyPYOBUFSWEVZPTC-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

4-(Sulfoamino)butanoic acid
CID 71349511
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
(2S)-2-amino-4-[[3-(dimethylamino)propyl-methylsulfamoyl]amino]butanoic acid
CID 89123898
(2S)-2-amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124061
2-Amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124062
(2S)-2-amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124191
2-Amino-4-[3-(dimethylamino)propylsulfamoylamino]butanoic acid
CID 89124193
4-(Aziridin-1-ylsulfonylamino)butanoic acid
CID 130470207
CID 141884320
CID 141884320
Ethane;4-(methylamino)butanoic acid
CID 144047695
4-aminobutanoic acid;N,N-dimethylmethanamine
CID 174320891
(2S)-2-amino-4-[methyl(sulfamoyl)amino]butanoic acid
CID 174670391

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[ethylsulfamoyl(methyl)amino]butanoic acid (CID 115776537) is 4-[ethylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[ethylsulfamoyl(methyl)amino]butanoic acid is CCNS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[ethylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is PYOBUFSWEVZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-8-14(12,13)9(2)6-4-5-7(10)11/h8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-[ethylsulfamoyl(methyl)amino]butanoic acid?
4-[ethylsulfamoyl(methyl)amino]butanoic 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 4-[ethylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 115776537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).