ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate

C11H18N2O4S — CID 53069179

IUPACethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
SMILESCCNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1C
InChIInChI=1S/C11H18N2O4S/c1-5-12-18(15,16)10-7-9(11(14)17-6-2)13(4)8(10)3/h7,12H,5-6H2,1-4H3
InChIKeyBFMKKHLKVXMMJA-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.81
Rot. Bonds5

About ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate

ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate (PubChem CID 53069179) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
PubChem CID53069179
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
SMILESCCNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1C
InChIInChI=1S/C11H18N2O4S/c1-5-12-18(15,16)10-7-9(11(14)17-6-2)13(4)8(10)3/h7,12H,5-6H2,1-4H3
InChIKeyBFMKKHLKVXMMJA-UHFFFAOYSA-N
XLogP0.81
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate
CID 53069183
ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069156
ethyl 4-[(3-bromophenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069201
ethyl 4-(azepan-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069155
ethyl 4-(4-amino-3,5-dimethylphenyl)sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 177323112
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
ethyl 4-(4,6-dihydrothieno[3,4-c]pyrrol-5-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 177323552
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
ethyl 4-(1H-indazol-5-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 177323235
ethyl 3-[[1,2-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 53006312
ethyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 177323162

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate (CID 53069179) is ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate is CCNS(=O)(=O)c1cc(C(=O)OCC)n(C)c1C.
What is the InChIKey of ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is BFMKKHLKVXMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-5-12-18(15,16)10-7-9(11(14)17-6-2)13(4)8(10)3/h7,12H,5-6H2,1-4H3.
What are the key properties of ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate?
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 53069179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).