azetidin-2-ol;methanesulfonic acid

C4H11NO4S — CID 87291302

IUPACazetidin-2-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CCN1
InChIInChI=1S/C3H7NO.CH4O3S/c5-3-1-2-4-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4)
InChIKeyRZQIQRLFUOEXEW-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.20
Rot. Bonds

About azetidin-2-ol;methanesulfonic acid

azetidin-2-ol;methanesulfonic acid (PubChem CID 87291302) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is azetidin-2-ol;methanesulfonic acid.

Molecular Properties

Compound Nameazetidin-2-ol;methanesulfonic acid
PubChem CID87291302
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Nameazetidin-2-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CCN1
InChIInChI=1S/C3H7NO.CH4O3S/c5-3-1-2-4-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4)
InChIKeyRZQIQRLFUOEXEW-UHFFFAOYSA-N
XLogP-1.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 azetidin-2-ol;methanesulfonic acid?
The IUPAC name of azetidin-2-ol;methanesulfonic acid (CID 87291302) is azetidin-2-ol;methanesulfonic acid.
What is the SMILES notation for azetidin-2-ol;methanesulfonic acid?
The canonical SMILES for azetidin-2-ol;methanesulfonic acid is CS(=O)(=O)O.OC1CCN1.
What is the InChIKey of azetidin-2-ol;methanesulfonic acid?
The InChIKey is RZQIQRLFUOEXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH4O3S/c5-3-1-2-4-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4).
What are the key properties of azetidin-2-ol;methanesulfonic acid?
azetidin-2-ol;methanesulfonic acid has a molecular weight of 169.20 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-ol;methanesulfonic acid is sourced from PubChem (CID 87291302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).