3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid

C7H16N2O4S — CID 28773454

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-9(2)5-4-8-14(12,13)6-3-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQYTOEAIYCMKVEC-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.06
Rot. Bonds7

About 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid

3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid (PubChem CID 28773454) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
PubChem CID28773454
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-9(2)5-4-8-14(12,13)6-3-7(10)11/h8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQYTOEAIYCMKVEC-UHFFFAOYSA-N
XLogP-1.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid (CID 28773454) is 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid is CN(C)CCNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
The InChIKey is QYTOEAIYCMKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-9(2)5-4-8-14(12,13)6-3-7(10)11/h8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid?
3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid has a molecular weight of 224.28 g/mol, XLogP of -1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 28773454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).