3-propylsulfonylazetidine

C6H13NO2S — CID 68955832

IUPAC3-propylsulfonylazetidine
SMILESCCCS(=O)(=O)C1CNC1
InChIInChI=1S/C6H13NO2S/c1-2-3-10(8,9)6-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyFUSKVVTWWLJSMH-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds3

About 3-propylsulfonylazetidine

3-propylsulfonylazetidine (PubChem CID 68955832) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-propylsulfonylazetidine.

Molecular Properties

Compound Name3-propylsulfonylazetidine
PubChem CID68955832
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-propylsulfonylazetidine
SMILESCCCS(=O)(=O)C1CNC1
InChIInChI=1S/C6H13NO2S/c1-2-3-10(8,9)6-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyFUSKVVTWWLJSMH-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonylazetidine?
The IUPAC name of 3-propylsulfonylazetidine (CID 68955832) is 3-propylsulfonylazetidine.
What is the SMILES notation for 3-propylsulfonylazetidine?
The canonical SMILES for 3-propylsulfonylazetidine is CCCS(=O)(=O)C1CNC1.
What is the InChIKey of 3-propylsulfonylazetidine?
The InChIKey is FUSKVVTWWLJSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-3-10(8,9)6-4-7-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-propylsulfonylazetidine?
3-propylsulfonylazetidine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonylazetidine is sourced from PubChem (CID 68955832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).