methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate

C13H20N2O4S — CID 22515654

IUPACmethyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C
InChIInChI=1S/C13H20N2O4S/c1-10-5-4-6-15(8-10)20(17,18)11-7-12(13(16)19-3)14(2)9-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyGETLCACTDYXILV-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.23
Rot. Bonds3

About methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate

methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate (PubChem CID 22515654) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate
PubChem CID22515654
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C
InChIInChI=1S/C13H20N2O4S/c1-10-5-4-6-15(8-10)20(17,18)11-7-12(13(16)19-3)14(2)9-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeyGETLCACTDYXILV-UHFFFAOYSA-N
XLogP1.23
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-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

methyl 5-(azepan-1-ylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 2809931
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-(4-hydroxypiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
CID 2810186
Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
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
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester
CID 464830

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate (CID 22515654) is methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cn1C.
What is the InChIKey of methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate?
The InChIKey is GETLCACTDYXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-5-4-6-15(8-10)20(17,18)11-7-12(13(16)19-3)14(2)9-11/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate?
methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 22515654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).