[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

C15H23N3O5S — CID 33321412

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(C)CC2)n(C)c1
InChIInChI=1S/C15H23N3O5S/c1-11-4-6-18(7-5-11)14(19)10-23-15(20)13-8-12(9-17(13)3)24(21,22)16-2/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyQNDYELSDTZGUBV-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.35
Rot. Bonds5

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 33321412) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
PubChem CID33321412
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(C)CC2)n(C)c1
InChIInChI=1S/C15H23N3O5S/c1-11-4-6-18(7-5-11)14(19)10-23-15(20)13-8-12(9-17(13)3)24(21,22)16-2/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyQNDYELSDTZGUBV-UHFFFAOYSA-N
XLogP0.35
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (CID 33321412) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is CNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(C)CC2)n(C)c1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is QNDYELSDTZGUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-11-4-6-18(7-5-11)14(19)10-23-15(20)13-8-12(9-17(13)3)24(21,22)16-2/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 33321412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).