1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid

C11H16N2O6S — CID 60780498

IUPAC1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)C(=O)OC)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-4-13-6-8(5-9(13)10(14)15)20(17,18)12-7(2)11(16)19-3/h5-7,12H,4H2,1-3H3,(H,14,15)
InChIKeyNAYNAHMXULBJFP-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.05
Rot. Bonds6

About 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 60780498) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID60780498
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)C(=O)OC)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-4-13-6-8(5-9(13)10(14)15)20(17,18)12-7(2)11(16)19-3/h5-7,12H,4H2,1-3H3,(H,14,15)
InChIKeyNAYNAHMXULBJFP-UHFFFAOYSA-N
XLogP0.05
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810323
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695
Ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 22515783

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 60780498) is 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NC(C)C(=O)OC)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is NAYNAHMXULBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-4-13-6-8(5-9(13)10(14)15)20(17,18)12-7(2)11(16)19-3/h5-7,12H,4H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 60780498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).