1-ethylsulfonyl-3-fluoro-3-methylazetidine

C6H12FNO2S — CID 130991379

IUPAC1-ethylsulfonyl-3-fluoro-3-methylazetidine
SMILESCCS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H12FNO2S/c1-3-11(9,10)8-4-6(2,7)5-8/h3-5H2,1-2H3
InChIKeyIOUVXNBYOOJBIV-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds2

About 1-ethylsulfonyl-3-fluoro-3-methylazetidine

1-ethylsulfonyl-3-fluoro-3-methylazetidine (PubChem CID 130991379) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-fluoro-3-methylazetidine
PubChem CID130991379
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name1-ethylsulfonyl-3-fluoro-3-methylazetidine
SMILESCCS(=O)(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H12FNO2S/c1-3-11(9,10)8-4-6(2,7)5-8/h3-5H2,1-2H3
InChIKeyIOUVXNBYOOJBIV-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylsulfonyl azetidine
CID 70663315
1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
3-Fluoro-1-(2-methylsulfonylethyl)azetidine
CID 123907074
3-Fluoro-3-methyl-1-methylsulfonylazetidine
CID 131151812
1-(2-fluoroethyl)-3-Azetidinesulfonamide
CID 137379999
2-(3-Fluoroazetidin-1-yl)ethanesulfonamide
CID 137516097
1-Tert-butylsulfonyl-3,3-difluoroazetidine
CID 139475227
1-(3,3,3-Trifluoropropylsulfonyl)azetidine
CID 153912884
3-(Fluoromethyl)-1-methyl-3-methylsulfonylazetidine
CID 155466453
3-Fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831350
1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-fluoro-3-methylazetidine?
The IUPAC name of 1-ethylsulfonyl-3-fluoro-3-methylazetidine (CID 130991379) is 1-ethylsulfonyl-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-ethylsulfonyl-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-ethylsulfonyl-3-fluoro-3-methylazetidine is CCS(=O)(=O)N1CC(C)(F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-fluoro-3-methylazetidine?
The InChIKey is IOUVXNBYOOJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-3-11(9,10)8-4-6(2,7)5-8/h3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-fluoro-3-methylazetidine?
1-ethylsulfonyl-3-fluoro-3-methylazetidine has a molecular weight of 181.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-fluoro-3-methylazetidine is sourced from PubChem (CID 130991379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).