1-propylsulfonylazetidin-3-ol

C6H13NO3S — CID 57467236

IUPAC1-propylsulfonylazetidin-3-ol
SMILESCCCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C6H13NO3S/c1-2-3-11(9,10)7-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyJGKHSFVGQGSOLK-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds3

About 1-propylsulfonylazetidin-3-ol

1-propylsulfonylazetidin-3-ol (PubChem CID 57467236) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-propylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-propylsulfonylazetidin-3-ol
PubChem CID57467236
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-propylsulfonylazetidin-3-ol
SMILESCCCS(=O)(=O)N1CC(O)C1
InChIInChI=1S/C6H13NO3S/c1-2-3-11(9,10)7-4-6(8)5-7/h6,8H,2-5H2,1H3
InChIKeyJGKHSFVGQGSOLK-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylazetidin-3-ol?
The IUPAC name of 1-propylsulfonylazetidin-3-ol (CID 57467236) is 1-propylsulfonylazetidin-3-ol.
What is the SMILES notation for 1-propylsulfonylazetidin-3-ol?
The canonical SMILES for 1-propylsulfonylazetidin-3-ol is CCCS(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-propylsulfonylazetidin-3-ol?
The InChIKey is JGKHSFVGQGSOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-3-11(9,10)7-4-6(8)5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-propylsulfonylazetidin-3-ol?
1-propylsulfonylazetidin-3-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylazetidin-3-ol is sourced from PubChem (CID 57467236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).