methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C14H23N3O4S — CID 20938624

IUPACmethyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCN1CCCC1CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C14H23N3O4S/c1-4-17-7-5-6-11(17)9-15-22(19,20)12-8-13(14(18)21-3)16(2)10-12/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyFAKLRZPMGHCGPS-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.57
Rot. Bonds6

About methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 20938624) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID20938624
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Namemethyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCN1CCCC1CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C14H23N3O4S/c1-4-17-7-5-6-11(17)9-15-22(19,20)12-8-13(14(18)21-3)16(2)10-12/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyFAKLRZPMGHCGPS-UHFFFAOYSA-N
XLogP0.57
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 20938624) is methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is CCN1CCCC1CNS(=O)(=O)c1cc(C(=O)OC)n(C)c1.
What is the InChIKey of methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is FAKLRZPMGHCGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-4-17-7-5-6-11(17)9-15-22(19,20)12-8-13(14(18)21-3)16(2)10-12/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).