2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide

C13H19N3O3S — CID 106191932

IUPAC2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC1CNC(=O)C1
InChIInChI=1S/C13H19N3O3S/c1-9(2)16-20(18,19)12-6-4-3-5-11(12)15-10-7-13(17)14-8-10/h3-6,9-10,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyVVUQINWEJJWPRC-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.67
Rot. Bonds5

About 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide

2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 106191932) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID106191932
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC1CNC(=O)C1
InChIInChI=1S/C13H19N3O3S/c1-9(2)16-20(18,19)12-6-4-3-5-11(12)15-10-7-13(17)14-8-10/h3-6,9-10,15-16H,7-8H2,1-2H3,(H,14,17)
InChIKeyVVUQINWEJJWPRC-UHFFFAOYSA-N
XLogP0.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 106191932) is 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NC1CNC(=O)C1.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VVUQINWEJJWPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)16-20(18,19)12-6-4-3-5-11(12)15-10-7-13(17)14-8-10/h3-6,9-10,15-16H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).