3-methyl-1-methylsulfonylazetidine

C5H11NO2S — CID 18343034

IUPAC3-methyl-1-methylsulfonylazetidine
SMILESCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H11NO2S/c1-5-3-6(4-5)9(2,7)8/h5H,3-4H2,1-2H3
InChIKeyBKRLIFABIHYQPG-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.10
Rot. Bonds1

About 3-methyl-1-methylsulfonylazetidine

3-methyl-1-methylsulfonylazetidine (PubChem CID 18343034) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-methyl-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-methyl-1-methylsulfonylazetidine
PubChem CID18343034
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-methyl-1-methylsulfonylazetidine
SMILESCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C5H11NO2S/c1-5-3-6(4-5)9(2,7)8/h5H,3-4H2,1-2H3
InChIKeyBKRLIFABIHYQPG-UHFFFAOYSA-N
XLogP-0.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfonylazetidine?
The IUPAC name of 3-methyl-1-methylsulfonylazetidine (CID 18343034) is 3-methyl-1-methylsulfonylazetidine.
What is the SMILES notation for 3-methyl-1-methylsulfonylazetidine?
The canonical SMILES for 3-methyl-1-methylsulfonylazetidine is CC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-methylsulfonylazetidine?
The InChIKey is BKRLIFABIHYQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5-3-6(4-5)9(2,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-methylsulfonylazetidine?
3-methyl-1-methylsulfonylazetidine has a molecular weight of 149.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfonylazetidine is sourced from PubChem (CID 18343034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).