2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

C7H13N3O4S — CID 43636041

IUPAC2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCN1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C7H13N3O4S/c1-10-6(11)4-5(7(10)12)9-2-3-15(8,13)14/h5,9H,2-4H2,1H3,(H2,8,13,14)
InChIKeyXQRFBKKBVCGYKW-UHFFFAOYSA-N
MW235.26 g/mol
LogP-2.38
Rot. Bonds4

About 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43636041) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43636041
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCN1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C7H13N3O4S/c1-10-6(11)4-5(7(10)12)9-2-3-15(8,13)14/h5,9H,2-4H2,1H3,(H2,8,13,14)
InChIKeyXQRFBKKBVCGYKW-UHFFFAOYSA-N
XLogP-2.38
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-2.38
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-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (CID 43636041) is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is CN1C(=O)CC(NCCS(N)(=O)=O)C1=O.
What is the InChIKey of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is XQRFBKKBVCGYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-10-6(11)4-5(7(10)12)9-2-3-15(8,13)14/h5,9H,2-4H2,1H3,(H2,8,13,14).
What are the key properties of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 235.26 g/mol, XLogP of -2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43636041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).