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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Related Compounds

methyl 5-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
methyl 5-{[4-(2-hydroxyethyl)piperazino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809932
Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3943726
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3485661

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).