1-methylsulfonylazetidin-3-ol

C4H9NO3S — CID 18343026

IUPAC1-methylsulfonylazetidin-3-ol
SMILESCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C4H9NO3S/c1-9(7,8)5-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKeyCPTYCCCFVMZEDY-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.38
Rot. Bonds1

About 1-methylsulfonylazetidin-3-ol

1-methylsulfonylazetidin-3-ol (PubChem CID 18343026) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1-methylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonylazetidin-3-ol
PubChem CID18343026
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name1-methylsulfonylazetidin-3-ol
SMILESCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C4H9NO3S/c1-9(7,8)5-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKeyCPTYCCCFVMZEDY-UHFFFAOYSA-N
XLogP-1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylazetidin-3-ol?
The IUPAC name of 1-methylsulfonylazetidin-3-ol (CID 18343026) is 1-methylsulfonylazetidin-3-ol.
What is the SMILES notation for 1-methylsulfonylazetidin-3-ol?
The canonical SMILES for 1-methylsulfonylazetidin-3-ol is CS(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-methylsulfonylazetidin-3-ol?
The InChIKey is CPTYCCCFVMZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-9(7,8)5-2-4(6)3-5/h4,6H,2-3H2,1H3.
What are the key properties of 1-methylsulfonylazetidin-3-ol?
1-methylsulfonylazetidin-3-ol has a molecular weight of 151.19 g/mol, XLogP of -1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylazetidin-3-ol is sourced from PubChem (CID 18343026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).