1-methyl-2-methylsulfonylazetidine

C5H11NO2S — CID 18403242

IUPAC1-methyl-2-methylsulfonylazetidine
SMILESCN1CCC1S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5(6)9(2,7)8/h5H,3-4H2,1-2H3
InChIKeyHJEQFPFBBKOETC-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.31
Rot. Bonds1

About 1-methyl-2-methylsulfonylazetidine

1-methyl-2-methylsulfonylazetidine (PubChem CID 18403242) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-methyl-2-methylsulfonylazetidine.

Molecular Properties

Compound Name1-methyl-2-methylsulfonylazetidine
PubChem CID18403242
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-methyl-2-methylsulfonylazetidine
SMILESCN1CCC1S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-4-3-5(6)9(2,7)8/h5H,3-4H2,1-2H3
InChIKeyHJEQFPFBBKOETC-UHFFFAOYSA-N
XLogP-0.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfonylazetidine?
The IUPAC name of 1-methyl-2-methylsulfonylazetidine (CID 18403242) is 1-methyl-2-methylsulfonylazetidine.
What is the SMILES notation for 1-methyl-2-methylsulfonylazetidine?
The canonical SMILES for 1-methyl-2-methylsulfonylazetidine is CN1CCC1S(C)(=O)=O.
What is the InChIKey of 1-methyl-2-methylsulfonylazetidine?
The InChIKey is HJEQFPFBBKOETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-4-3-5(6)9(2,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfonylazetidine?
1-methyl-2-methylsulfonylazetidine has a molecular weight of 149.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfonylazetidine is sourced from PubChem (CID 18403242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).