1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

C11H17N3O5S — CID 106341876

IUPAC1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H17N3O5S/c1-13(2)20(18,19)7-5-12-10(15)8-14-6-3-4-9(14)11(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMBPJYDJGDCXAFN-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.81
Rot. Bonds7

About 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 106341876) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID106341876
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C11H17N3O5S/c1-13(2)20(18,19)7-5-12-10(15)8-14-6-3-4-9(14)11(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMBPJYDJGDCXAFN-UHFFFAOYSA-N
XLogP-0.81
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323925
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
1-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324255
1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325566
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
CID 79324616
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 106341876) is 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is CN(C)S(=O)(=O)CCNC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is MBPJYDJGDCXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-13(2)20(18,19)7-5-12-10(15)8-14-6-3-4-9(14)11(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 106341876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).