propane-1-sulfonic acid;pyrrolidin-2-one

C7H15NO4S — CID 22444652

IUPACpropane-1-sulfonic acid;pyrrolidin-2-one
SMILESCCCS(=O)(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H8O3S/c6-4-2-1-3-5-4;1-2-3-7(4,5)6/h1-3H2,(H,5,6);2-3H2,1H3,(H,4,5,6)
InChIKeyGJEWMGASYPPPLJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds2

About propane-1-sulfonic acid;pyrrolidin-2-one

propane-1-sulfonic acid;pyrrolidin-2-one (PubChem CID 22444652) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is propane-1-sulfonic acid;pyrrolidin-2-one.

Molecular Properties

Compound Namepropane-1-sulfonic acid;pyrrolidin-2-one
PubChem CID22444652
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namepropane-1-sulfonic acid;pyrrolidin-2-one
SMILESCCCS(=O)(=O)O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H8O3S/c6-4-2-1-3-5-4;1-2-3-7(4,5)6/h1-3H2,(H,5,6);2-3H2,1H3,(H,4,5,6)
InChIKeyGJEWMGASYPPPLJ-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
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 propane-1-sulfonic acid;pyrrolidin-2-one?
The IUPAC name of propane-1-sulfonic acid;pyrrolidin-2-one (CID 22444652) is propane-1-sulfonic acid;pyrrolidin-2-one.
What is the SMILES notation for propane-1-sulfonic acid;pyrrolidin-2-one?
The canonical SMILES for propane-1-sulfonic acid;pyrrolidin-2-one is CCCS(=O)(=O)O.O=C1CCCN1.
What is the InChIKey of propane-1-sulfonic acid;pyrrolidin-2-one?
The InChIKey is GJEWMGASYPPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8O3S/c6-4-2-1-3-5-4;1-2-3-7(4,5)6/h1-3H2,(H,5,6);2-3H2,1H3,(H,4,5,6).
What are the key properties of propane-1-sulfonic acid;pyrrolidin-2-one?
propane-1-sulfonic acid;pyrrolidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-sulfonic acid;pyrrolidin-2-one is sourced from PubChem (CID 22444652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).