6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid

C10H20N2O5S — CID 114174957

IUPAC6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-2-12-18(16,17)8-7-11-9(13)5-3-4-6-10(14)15/h12H,2-8H2,1H3,(H,11,13)(H,14,15)
InChIKeyPAIWUWHNOKWHAA-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.31
Rot. Bonds10

About 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid

6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid (PubChem CID 114174957) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
PubChem CID114174957
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
SMILESCCNS(=O)(=O)CCNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-2-12-18(16,17)8-7-11-9(13)5-3-4-6-10(14)15/h12H,2-8H2,1H3,(H,11,13)(H,14,15)
InChIKeyPAIWUWHNOKWHAA-UHFFFAOYSA-N
XLogP-0.31
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

7-amino-N-[2-(ethylsulfamoyl)ethyl]heptanamide
CID 113266677
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
4-[2-(ethylsulfamoyl)ethylcarbamoyl-methylamino]butanoic acid
CID 106340802
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
6-(butylamino)-6-oxohexanoic acid
CID 43529485
4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
CID 43567410
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
6-amino-4-ethyl-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 106337136
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid (CID 114174957) is 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid is CCNS(=O)(=O)CCNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid?
The InChIKey is PAIWUWHNOKWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-2-12-18(16,17)8-7-11-9(13)5-3-4-6-10(14)15/h12H,2-8H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid?
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 114174957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).