2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide

C7H12N2O5S — CID 79579380

IUPAC2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
SMILESCN1C(=O)CC(NS(=O)(=O)CCO)C1=O
InChIInChI=1S/C7H12N2O5S/c1-9-6(11)4-5(7(9)12)8-15(13,14)3-2-10/h5,8,10H,2-4H2,1H3
InChIKeyBZJVZWLDULYOOB-UHFFFAOYSA-N
MW236.25 g/mol
LogP-2.34
Rot. Bonds4

About 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide

2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide (PubChem CID 79579380) has the molecular formula C7H12N2O5S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
PubChem CID79579380
Molecular FormulaC7H12N2O5S
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC Name2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide
SMILESCN1C(=O)CC(NS(=O)(=O)CCO)C1=O
InChIInChI=1S/C7H12N2O5S/c1-9-6(11)4-5(7(9)12)8-15(13,14)3-2-10/h5,8,10H,2-4H2,1H3
InChIKeyBZJVZWLDULYOOB-UHFFFAOYSA-N
XLogP-2.34
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Amino-2,5-dioxo-1-pyrrolidinyl)-ethanesulfonic acid
CID 85602702
2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
CID 43636041
2-[(2,5-Dioxo-1-propylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 43636822
2-[(2,5-Dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 43636823
2-[(1-Ethyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
CID 43636824
2-[(2,5-Dioxopyrrolidin-3-yl)amino]ethanesulfonamide
CID 43637915
2-[(2,5-Dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 43638097
2-[(1-Butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
CID 43638311
3-[(2,5-Dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 61883348
3-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 61883546
3-[(1-Ethyl-2,5-dioxopyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 61883747
3-[(2,5-Dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 61886153

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide (CID 79579380) is 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide is CN1C(=O)CC(NS(=O)(=O)CCO)C1=O.
What is the InChIKey of 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide?
The InChIKey is BZJVZWLDULYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S/c1-9-6(11)4-5(7(9)12)8-15(13,14)3-2-10/h5,8,10H,2-4H2,1H3.
What are the key properties of 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide?
2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide has a molecular weight of 236.25 g/mol, XLogP of -2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 79579380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).