ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate

C12H19N3O4S — CID 114612617

IUPACethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCNCC1
InChIInChI=1S/C12H19N3O4S/c1-2-19-12(16)11-7-10(20(13,17)18)8-15(11)9-3-5-14-6-4-9/h7-9,14H,2-6H2,1H3,(H2,13,17,18)
InChIKeyQIEWMZBMLOSAKM-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.24
Rot. Bonds4

About ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate

ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612617) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612617
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nameethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCNCC1
InChIInChI=1S/C12H19N3O4S/c1-2-19-12(16)11-7-10(20(13,17)18)8-15(11)9-3-5-14-6-4-9/h7-9,14H,2-6H2,1H3,(H2,13,17,18)
InChIKeyQIEWMZBMLOSAKM-UHFFFAOYSA-N
XLogP0.24
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate (CID 114612617) is ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCNCC1.
What is the InChIKey of ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is QIEWMZBMLOSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-19-12(16)11-7-10(20(13,17)18)8-15(11)9-3-5-14-6-4-9/h7-9,14H,2-6H2,1H3,(H2,13,17,18).
What are the key properties of ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate?
ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).