1-ethylsulfonylazetidine

C5H11NO2S — CID 70663315

IUPAC1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CCC1
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)6-4-3-5-6/h2-5H2,1H3
InChIKeySFMNHCLLSKRLRN-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.04
Rot. Bonds2

About 1-ethylsulfonylazetidine

1-ethylsulfonylazetidine (PubChem CID 70663315) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-ethylsulfonylazetidine.

Molecular Properties

Compound Name1-ethylsulfonylazetidine
PubChem CID70663315
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-ethylsulfonylazetidine
SMILESCCS(=O)(=O)N1CCC1
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)6-4-3-5-6/h2-5H2,1H3
InChIKeySFMNHCLLSKRLRN-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylazetidine?
The IUPAC name of 1-ethylsulfonylazetidine (CID 70663315) is 1-ethylsulfonylazetidine.
What is the SMILES notation for 1-ethylsulfonylazetidine?
The canonical SMILES for 1-ethylsulfonylazetidine is CCS(=O)(=O)N1CCC1.
What is the InChIKey of 1-ethylsulfonylazetidine?
The InChIKey is SFMNHCLLSKRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-9(7,8)6-4-3-5-6/h2-5H2,1H3.
What are the key properties of 1-ethylsulfonylazetidine?
1-ethylsulfonylazetidine has a molecular weight of 149.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylazetidine is sourced from PubChem (CID 70663315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).