azetidin-3-ol;methanesulfonic acid

C4H11NO4S — CID 175438238

IUPACazetidin-3-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CNC1
InChIInChI=1S/C3H7NO.CH4O3S/c5-3-1-4-2-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4)
InChIKeyCTZZTZIBLBDMRZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-1.55
Rot. Bonds

About azetidin-3-ol;methanesulfonic acid

azetidin-3-ol;methanesulfonic acid (PubChem CID 175438238) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is azetidin-3-ol;methanesulfonic acid.

Molecular Properties

Compound Nameazetidin-3-ol;methanesulfonic acid
PubChem CID175438238
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Nameazetidin-3-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC1CNC1
InChIInChI=1S/C3H7NO.CH4O3S/c5-3-1-4-2-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4)
InChIKeyCTZZTZIBLBDMRZ-UHFFFAOYSA-N
XLogP-1.55
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 ≤ 5-1.55
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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Related Compounds

Azetidin-1-ium-3-yl methanesulfonate chloride
CID 134883204
Azetidin-3-yl methanesulfonate
CID 7330605
Azetidin-3-yl methanesulfonate hydrochloride
CID 11974881
Azetidin-3-yl methanesulfonate;methanesulfonic acid
CID 20377398
1-(2-Hydroxyethylamino)propan-2-ol;methanesulfonic acid
CID 20512861
2-(Ethylamino)ethanol;methanesulfonic acid
CID 20512878
Methanesulfonic acid;2-(methylamino)ethanol
CID 20512947
(2-Hydroxypropylamino)methanesulfonic acid
CID 21484541
Sodium (2-hydroxypropylamino)methanesulfonate
CID 23690017
2-Hydroxy-3-(methylamino)propane-1-sulfonic acid
CID 85974867
Azetidin-2-ol;methanesulfonic acid
CID 87291302
Azetidin-3-yl methanesulfonate;ethane
CID 145560211

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;methanesulfonic acid?
The IUPAC name of azetidin-3-ol;methanesulfonic acid (CID 175438238) is azetidin-3-ol;methanesulfonic acid.
What is the SMILES notation for azetidin-3-ol;methanesulfonic acid?
The canonical SMILES for azetidin-3-ol;methanesulfonic acid is CS(=O)(=O)O.OC1CNC1.
What is the InChIKey of azetidin-3-ol;methanesulfonic acid?
The InChIKey is CTZZTZIBLBDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH4O3S/c5-3-1-4-2-3;1-5(2,3)4/h3-5H,1-2H2;1H3,(H,2,3,4).
What are the key properties of azetidin-3-ol;methanesulfonic acid?
azetidin-3-ol;methanesulfonic acid has a molecular weight of 169.20 g/mol, XLogP of -1.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ol;methanesulfonic acid is sourced from PubChem (CID 175438238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).