1-ethyl-3-(methylsulfonylmethyl)azetidine

C7H15NO2S — CID 66972312

IUPAC1-ethyl-3-(methylsulfonylmethyl)azetidine
SMILESCCN1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-8-4-7(5-8)6-11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyCHLGQJRIHNXJOU-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.02
Rot. Bonds3

About 1-ethyl-3-(methylsulfonylmethyl)azetidine

1-ethyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 66972312) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-ethyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(methylsulfonylmethyl)azetidine
PubChem CID66972312
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-ethyl-3-(methylsulfonylmethyl)azetidine
SMILESCCN1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-3-8-4-7(5-8)6-11(2,9)10/h7H,3-6H2,1-2H3
InChIKeyCHLGQJRIHNXJOU-UHFFFAOYSA-N
XLogP-0.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 1-ethyl-3-(methylsulfonylmethyl)azetidine (CID 66972312) is 1-ethyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-ethyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 1-ethyl-3-(methylsulfonylmethyl)azetidine is CCN1CC(CS(C)(=O)=O)C1.
What is the InChIKey of 1-ethyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is CHLGQJRIHNXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-8-4-7(5-8)6-11(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylsulfonylmethyl)azetidine?
1-ethyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 177.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 66972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).