ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

C11H15N3O4S — CID 10589188

IUPACethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(S(=O)(=O)CC)n2C)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-4-18-10(15)7-6-8-9(12-7)13-11(14(8)3)19(16,17)5-2/h6,12H,4-5H2,1-3H3
InChIKeyARALIQUAKQYJIG-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (PubChem CID 10589188) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
PubChem CID10589188
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Nameethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(S(=O)(=O)CC)n2C)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-4-18-10(15)7-6-8-9(12-7)13-11(14(8)3)19(16,17)5-2/h6,12H,4-5H2,1-3H3
InChIKeyARALIQUAKQYJIG-UHFFFAOYSA-N
XLogP0.87
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate 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

ethyl 1-methyl-2-propylsulfonyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 10685545
ethyl 4-ethylsulfonyl-1H-pyrrole-2-carboxylate
CID 99990576
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 130005141
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 5-bromo-6-(methanesulfonamido)-1H-indole-2-carboxylate
CID 134448391
ethyl 1-[(4-methoxyphenyl)methyl]-2-propylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
CID 11014195
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 4-methoxy-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 133059123
diethyl 11-ethyl-4,11,18-triazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-5,17-dicarboxylate
CID 177492288
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate (CID 10589188) is ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1cc2c(nc(S(=O)(=O)CC)n2C)[nH]1.
What is the InChIKey of ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
The InChIKey is ARALIQUAKQYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-4-18-10(15)7-6-8-9(12-7)13-11(14(8)3)19(16,17)5-2/h6,12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate?
ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 10589188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).