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

C9H18N2O5S — CID 54947594

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-5-11(6-8(12)10(3)4)17(15,16)7(2)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyWFRXOCLBDBQVDO-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.80
Rot. Bonds6

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

2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid (PubChem CID 54947594) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
PubChem CID54947594
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-5-11(6-8(12)10(3)4)17(15,16)7(2)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyWFRXOCLBDBQVDO-UHFFFAOYSA-N
XLogP-0.80
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid (CID 54947594) is 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid is CCN(CC(=O)N(C)C)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The InChIKey is WFRXOCLBDBQVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-5-11(6-8(12)10(3)4)17(15,16)7(2)9(13)14/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).