ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

C11H18N2O4S — CID 80736264

IUPACethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C11H18N2O4S/c1-6-17-11(14)9-7(2)10(8(3)12-9)18(15,16)13(4)5/h12H,6H2,1-5H3
InChIKeyHCLYFVJCQNLJNI-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.06
Rot. Bonds4

About ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 80736264) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID80736264
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C11H18N2O4S/c1-6-17-11(14)9-7(2)10(8(3)12-9)18(15,16)13(4)5/h12H,6H2,1-5H3
InChIKeyHCLYFVJCQNLJNI-UHFFFAOYSA-N
XLogP1.06
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 80736264) is ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is HCLYFVJCQNLJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-6-17-11(14)9-7(2)10(8(3)12-9)18(15,16)13(4)5/h12H,6H2,1-5H3.
What are the key properties of ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 80736264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).