3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine

C9H19NO2S — CID 167285444

IUPAC3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine
SMILESCCC1(CCS(C)(=O)=O)CN(C)C1
InChIInChI=1S/C9H19NO2S/c1-4-9(7-10(2)8-9)5-6-13(3,11)12/h4-8H2,1-3H3
InChIKeyZYWSBYBAMLKEIX-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds4

About 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine

3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine (PubChem CID 167285444) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine
PubChem CID167285444
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine
SMILESCCC1(CCS(C)(=O)=O)CN(C)C1
InChIInChI=1S/C9H19NO2S/c1-4-9(7-10(2)8-9)5-6-13(3,11)12/h4-8H2,1-3H3
InChIKeyZYWSBYBAMLKEIX-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 126763963
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CID 132221855
CID 132221855
CID 145026629
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CID 163697361
CID 163697361
CID 164831348
CID 164831348
CID 164961970
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CID 165078311
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CID 167291889
CID 167291889

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine (CID 167285444) is 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine is CCC1(CCS(C)(=O)=O)CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine?
The InChIKey is ZYWSBYBAMLKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(7-10(2)8-9)5-6-13(3,11)12/h4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine?
3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 167285444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).