methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate

C14H21N3O5S — CID 20938623

IUPACmethyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)cn1C
InChIInChI=1S/C14H21N3O5S/c1-16-10-11(9-12(16)14(19)22-2)23(20,21)15-6-4-8-17-7-3-5-13(17)18/h9-10,15H,3-8H2,1-2H3
InChIKeyICQSYUUCTIKEPQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.10
Rot. Bonds7

About methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate (PubChem CID 20938623) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate
PubChem CID20938623
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Namemethyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)cn1C
InChIInChI=1S/C14H21N3O5S/c1-16-10-11(9-12(16)14(19)22-2)23(20,21)15-6-4-8-17-7-3-5-13(17)18/h9-10,15H,3-8H2,1-2H3
InChIKeyICQSYUUCTIKEPQ-UHFFFAOYSA-N
XLogP0.10
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
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
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate (CID 20938623) is methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)cn1C.
What is the InChIKey of methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate?
The InChIKey is ICQSYUUCTIKEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-16-10-11(9-12(16)14(19)22-2)23(20,21)15-6-4-8-17-7-3-5-13(17)18/h9-10,15H,3-8H2,1-2H3.
What are the key properties of methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 20938623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).