methanesulfonic acid;pyrrolidin-2-one

C5H11NO4S — CID 71362458

IUPACmethanesulfonic acid;pyrrolidin-2-one
SMILESCS(=O)(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.CH4O3S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1H3,(H,2,3,4)
InChIKeyAXZFVSQZAFYIKT-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.60
Rot. Bonds

About methanesulfonic acid;pyrrolidin-2-one

methanesulfonic acid;pyrrolidin-2-one (PubChem CID 71362458) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methanesulfonic acid;pyrrolidin-2-one.

Molecular Properties

Compound Namemethanesulfonic acid;pyrrolidin-2-one
PubChem CID71362458
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethanesulfonic acid;pyrrolidin-2-one
SMILESCS(=O)(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.CH4O3S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1H3,(H,2,3,4)
InChIKeyAXZFVSQZAFYIKT-UHFFFAOYSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 methanesulfonic acid;pyrrolidin-2-one?
The IUPAC name of methanesulfonic acid;pyrrolidin-2-one (CID 71362458) is methanesulfonic acid;pyrrolidin-2-one.
What is the SMILES notation for methanesulfonic acid;pyrrolidin-2-one?
The canonical SMILES for methanesulfonic acid;pyrrolidin-2-one is CS(=O)(=O)O.O=C1CCCN1.
What is the InChIKey of methanesulfonic acid;pyrrolidin-2-one?
The InChIKey is AXZFVSQZAFYIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH4O3S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;pyrrolidin-2-one?
methanesulfonic acid;pyrrolidin-2-one has a molecular weight of 181.21 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;pyrrolidin-2-one is sourced from PubChem (CID 71362458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).