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

C8H15N3O4S — CID 43636824

IUPAC2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCN1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C8H15N3O4S/c1-2-11-7(12)5-6(8(11)13)10-3-4-16(9,14)15/h6,10H,2-5H2,1H3,(H2,9,14,15)
InChIKeyFZSXXCGQIUQTPQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP-1.99
Rot. Bonds5

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

2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43636824) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43636824
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Name2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCN1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C8H15N3O4S/c1-2-11-7(12)5-6(8(11)13)10-3-4-16(9,14)15/h6,10H,2-5H2,1H3,(H2,9,14,15)
InChIKeyFZSXXCGQIUQTPQ-UHFFFAOYSA-N
XLogP-1.99
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropyl-5-oxo-3-pyrrolidinyl)(N-mesyl-N-methylamino)acetamide
CID 71789243
5-{[(2S)-1-(ethylsulfonyl)tetrahydro-1H-pyrrol-2-yl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201475
N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 95969047
2-(3-Amino-2,5-dioxo-1-pyrrolidinyl)-ethanesulfonic acid
CID 85602702
5-Oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713685
2-(N-methylmethylsulfonamido)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 71789113
N-(1-methyl-5-oxopyrrolidin-3-yl)propane-1-sulfonamide
CID 71789166
2-[[(2S)-4-acetamido-2-amino-4-oxobutanoyl]amino]ethanesulfonic acid
CID 88709472
2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]ethanesulfonic acid
CID 88709476
N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 105056076
N-(2-oxopyrrolidin-3-yl)propane-2-sulfonamide
CID 118103401
N-[2-(ethylsulfonylamino)ethyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118426499

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (CID 43636824) is 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is CCN1C(=O)CC(NCCS(N)(=O)=O)C1=O.
What is the InChIKey of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is FZSXXCGQIUQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-2-11-7(12)5-6(8(11)13)10-3-4-16(9,14)15/h6,10H,2-5H2,1H3,(H2,9,14,15).
What are the key properties of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 249.29 g/mol, XLogP of -1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43636824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).