1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide

C15H22N2O3S — CID 3680731

IUPAC1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18)
InChIKeyJXVSPFVRAXMZMW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 3680731) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID3680731
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18)
InChIKeyJXVSPFVRAXMZMW-UHFFFAOYSA-N
XLogP1.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide 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-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 3680731) is 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JXVSPFVRAXMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)11-6-8-12(9-7-11)21(19,20)17-10-4-5-13(17)14(16)18/h6-9,13H,4-5,10H2,1-3H3,(H2,16,18).
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3680731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).