3-methyl-1-propylsulfonylazetidine

C7H15NO2S — CID 123366950

IUPAC3-methyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(C)C1
InChIInChI=1S/C7H15NO2S/c1-3-4-11(9,10)8-5-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyVFHUNNDREMFZAB-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds3

About 3-methyl-1-propylsulfonylazetidine

3-methyl-1-propylsulfonylazetidine (PubChem CID 123366950) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-methyl-1-propylsulfonylazetidine.

Molecular Properties

Compound Name3-methyl-1-propylsulfonylazetidine
PubChem CID123366950
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-methyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(C)C1
InChIInChI=1S/C7H15NO2S/c1-3-4-11(9,10)8-5-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyVFHUNNDREMFZAB-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylsulfonylazetidine?
The IUPAC name of 3-methyl-1-propylsulfonylazetidine (CID 123366950) is 3-methyl-1-propylsulfonylazetidine.
What is the SMILES notation for 3-methyl-1-propylsulfonylazetidine?
The canonical SMILES for 3-methyl-1-propylsulfonylazetidine is CCCS(=O)(=O)N1CC(C)C1.
What is the InChIKey of 3-methyl-1-propylsulfonylazetidine?
The InChIKey is VFHUNNDREMFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-4-11(9,10)8-5-7(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-propylsulfonylazetidine?
3-methyl-1-propylsulfonylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylsulfonylazetidine is sourced from PubChem (CID 123366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).