1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide

C14H19N3O4S — CID 56796192

IUPAC1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)C2)cc1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)12-4-2-10(3-5-12)8-16-14(19)17-7-6-11(9-17)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyLTJITPDYEXMFRS-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.11
Rot. Bonds4

About 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide

1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 56796192) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID56796192
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)C2)cc1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)12-4-2-10(3-5-12)8-16-14(19)17-7-6-11(9-17)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyLTJITPDYEXMFRS-UHFFFAOYSA-N
XLogP0.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide 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 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 56796192) is 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide is CS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is LTJITPDYEXMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-22(20,21)12-4-2-10(3-5-12)8-16-14(19)17-7-6-11(9-17)13(15)18/h2-5,11H,6-9H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56796192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).