1-(2-methylsulfonylethyl)azetidine

C6H13NO2S — CID 123971388

IUPAC1-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCN1CCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-5-7-3-2-4-7/h2-6H2,1H3
InChIKeyPBISXTMIDQOSRT-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds3

About 1-(2-methylsulfonylethyl)azetidine

1-(2-methylsulfonylethyl)azetidine (PubChem CID 123971388) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)azetidine
PubChem CID123971388
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCN1CCC1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-5-7-3-2-4-7/h2-6H2,1H3
InChIKeyPBISXTMIDQOSRT-UHFFFAOYSA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 1-(2-methylsulfonylethyl)azetidine (CID 123971388) is 1-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)azetidine is CS(=O)(=O)CCN1CCC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)azetidine?
The InChIKey is PBISXTMIDQOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6-5-7-3-2-4-7/h2-6H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)azetidine?
1-(2-methylsulfonylethyl)azetidine has a molecular weight of 163.24 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 123971388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).