2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

C6H11N3O4S — CID 43637915

IUPAC2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(=O)NC1=O
InChIInChI=1S/C6H11N3O4S/c7-14(12,13)2-1-8-4-3-5(10)9-6(4)11/h4,8H,1-3H2,(H2,7,12,13)(H,9,10,11)
InChIKeyBUOTWQYYBKBZED-UHFFFAOYSA-N
MW221.24 g/mol
LogP-2.72
Rot. Bonds4

About 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43637915) has the molecular formula C6H11N3O4S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43637915
Molecular FormulaC6H11N3O4S
Molecular Weight221.24 g/mol
Exact Mass221.05
IUPAC Name2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(=O)NC1=O
InChIInChI=1S/C6H11N3O4S/c7-14(12,13)2-1-8-4-3-5(10)9-6(4)11/h4,8H,1-3H2,(H2,7,12,13)(H,9,10,11)
InChIKeyBUOTWQYYBKBZED-UHFFFAOYSA-N
XLogP-2.72
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
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-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (CID 43637915) is 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNC1CC(=O)NC1=O.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is BUOTWQYYBKBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S/c7-14(12,13)2-1-8-4-3-5(10)9-6(4)11/h4,8H,1-3H2,(H2,7,12,13)(H,9,10,11).
What are the key properties of 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 221.24 g/mol, XLogP of -2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43637915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).