1-methylsulfonylpyrrolidin-2-one;sulfuric acid

C5H11NO7S2 — CID 175575257

IUPAC1-methylsulfonylpyrrolidin-2-one;sulfuric acid
SMILESCS(=O)(=O)N1CCCC1=O.O=S(=O)(O)O
InChIInChI=1S/C5H9NO3S.H2O4S/c1-10(8,9)6-4-2-3-5(6)7;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4)
InChIKeyMDSLXHMGXJOKAF-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.08
Rot. Bonds1

About 1-methylsulfonylpyrrolidin-2-one;sulfuric acid

1-methylsulfonylpyrrolidin-2-one;sulfuric acid (PubChem CID 175575257) has the molecular formula C5H11NO7S2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidin-2-one;sulfuric acid.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidin-2-one;sulfuric acid
PubChem CID175575257
Molecular FormulaC5H11NO7S2
Molecular Weight261.28 g/mol
Exact Mass261.00
IUPAC Name1-methylsulfonylpyrrolidin-2-one;sulfuric acid
SMILESCS(=O)(=O)N1CCCC1=O.O=S(=O)(O)O
InChIInChI=1S/C5H9NO3S.H2O4S/c1-10(8,9)6-4-2-3-5(6)7;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4)
InChIKeyMDSLXHMGXJOKAF-UHFFFAOYSA-N
XLogP-1.08
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidin-2-one;sulfuric acid?
The IUPAC name of 1-methylsulfonylpyrrolidin-2-one;sulfuric acid (CID 175575257) is 1-methylsulfonylpyrrolidin-2-one;sulfuric acid.
What is the SMILES notation for 1-methylsulfonylpyrrolidin-2-one;sulfuric acid?
The canonical SMILES for 1-methylsulfonylpyrrolidin-2-one;sulfuric acid is CS(=O)(=O)N1CCCC1=O.O=S(=O)(O)O.
What is the InChIKey of 1-methylsulfonylpyrrolidin-2-one;sulfuric acid?
The InChIKey is MDSLXHMGXJOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S.H2O4S/c1-10(8,9)6-4-2-3-5(6)7;1-5(2,3)4/h2-4H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-methylsulfonylpyrrolidin-2-one;sulfuric acid?
1-methylsulfonylpyrrolidin-2-one;sulfuric acid has a molecular weight of 261.28 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidin-2-one;sulfuric acid is sourced from PubChem (CID 175575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).