2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide

C11H21N3O4S — CID 43638097

IUPAC2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCC(CC)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C11H21N3O4S/c1-3-8(4-2)14-10(15)7-9(11(14)16)13-5-6-19(12,17)18/h8-9,13H,3-7H2,1-2H3,(H2,12,17,18)
InChIKeyCCEUHIQCNJFADA-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.82
Rot. Bonds7

About 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43638097) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43638097
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCC(CC)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C11H21N3O4S/c1-3-8(4-2)14-10(15)7-9(11(14)16)13-5-6-19(12,17)18/h8-9,13H,3-7H2,1-2H3,(H2,12,17,18)
InChIKeyCCEUHIQCNJFADA-UHFFFAOYSA-N
XLogP-0.82
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide (CID 43638097) is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide is CCC(CC)N1C(=O)CC(NCCS(N)(=O)=O)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is CCEUHIQCNJFADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-3-8(4-2)14-10(15)7-9(11(14)16)13-5-6-19(12,17)18/h8-9,13H,3-7H2,1-2H3,(H2,12,17,18).
What are the key properties of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43638097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).