1-ethylsulfonylazetidin-3-ol

C5H11NO3S — CID 63106255

IUPAC1-ethylsulfonylazetidin-3-ol
SMILESCCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C5H11NO3S/c1-2-10(8,9)6-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyHFIOTINACHQWDE-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.99
Rot. Bonds2

About 1-ethylsulfonylazetidin-3-ol

1-ethylsulfonylazetidin-3-ol (PubChem CID 63106255) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-ethylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-ethylsulfonylazetidin-3-ol
PubChem CID63106255
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name1-ethylsulfonylazetidin-3-ol
SMILESCCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C5H11NO3S/c1-2-10(8,9)6-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyHFIOTINACHQWDE-UHFFFAOYSA-N
XLogP-0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylazetidin-3-ol?
The IUPAC name of 1-ethylsulfonylazetidin-3-ol (CID 63106255) is 1-ethylsulfonylazetidin-3-ol.
What is the SMILES notation for 1-ethylsulfonylazetidin-3-ol?
The canonical SMILES for 1-ethylsulfonylazetidin-3-ol is CCS(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-ethylsulfonylazetidin-3-ol?
The InChIKey is HFIOTINACHQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-10(8,9)6-3-5(7)4-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-ethylsulfonylazetidin-3-ol?
1-ethylsulfonylazetidin-3-ol has a molecular weight of 165.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylazetidin-3-ol is sourced from PubChem (CID 63106255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).