1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine

C11H23NO2S — CID 167076686

IUPAC1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine
SMILESCCC(C(C)C)C1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H23NO2S/c1-5-11(9(3)4)10-7-12(8-10)15(13,14)6-2/h9-11H,5-8H2,1-4H3
InChIKeyQLGSGJZNBGBTBY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.95
Rot. Bonds5

About 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine

1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine (PubChem CID 167076686) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine
PubChem CID167076686
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine
SMILESCCC(C(C)C)C1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C11H23NO2S/c1-5-11(9(3)4)10-7-12(8-10)15(13,14)6-2/h9-11H,5-8H2,1-4H3
InChIKeyQLGSGJZNBGBTBY-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The IUPAC name of 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine (CID 167076686) is 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The canonical SMILES for 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine is CCC(C(C)C)C1CN(S(=O)(=O)CC)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The InChIKey is QLGSGJZNBGBTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-11(9(3)4)10-7-12(8-10)15(13,14)6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine has a molecular weight of 233.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(2-methylpentan-3-yl)azetidine is sourced from PubChem (CID 167076686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).