1-methyl-3-(methylsulfonylmethyl)azetidine

C6H13NO2S — CID 58035128

IUPAC1-methyl-3-(methylsulfonylmethyl)azetidine
SMILESCN1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-7-3-6(4-7)5-10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyMSXLXGSOKUHXGI-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.41
Rot. Bonds2

About 1-methyl-3-(methylsulfonylmethyl)azetidine

1-methyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 58035128) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-methyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(methylsulfonylmethyl)azetidine
PubChem CID58035128
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-methyl-3-(methylsulfonylmethyl)azetidine
SMILESCN1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-7-3-6(4-7)5-10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyMSXLXGSOKUHXGI-UHFFFAOYSA-N
XLogP-0.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 1-methyl-3-(methylsulfonylmethyl)azetidine (CID 58035128) is 1-methyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 1-methyl-3-(methylsulfonylmethyl)azetidine is CN1CC(CS(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is MSXLXGSOKUHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-3-6(4-7)5-10(2,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-(methylsulfonylmethyl)azetidine?
1-methyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 163.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 58035128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).