ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

C13H20N2O5S — CID 6623831

IUPACethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCC2CCCO2)cn1C
InChIInChI=1S/C13H20N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyFNYLDKNRSDFEIO-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.66
Rot. Bonds6

About ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 6623831) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
PubChem CID6623831
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Nameethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCC2CCCO2)cn1C
InChIInChI=1S/C13H20N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyFNYLDKNRSDFEIO-UHFFFAOYSA-N
XLogP0.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
CID 2943598
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 43002481
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988389
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983105
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (CID 6623831) is ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NCC2CCCO2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is FNYLDKNRSDFEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 6623831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).