1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine

C14H21NO3S — CID 174269275

IUPAC1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine
SMILESCCN1CC(Oc2cccc(S(=O)(=O)C(C)C)c2)C1
InChIInChI=1S/C14H21NO3S/c1-4-15-9-13(10-15)18-12-6-5-7-14(8-12)19(16,17)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3
InChIKeyKJRJSZSDVJXLLR-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.95
Rot. Bonds5

About 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine

1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine (PubChem CID 174269275) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine
PubChem CID174269275
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine
SMILESCCN1CC(Oc2cccc(S(=O)(=O)C(C)C)c2)C1
InChIInChI=1S/C14H21NO3S/c1-4-15-9-13(10-15)18-12-6-5-7-14(8-12)19(16,17)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3
InChIKeyKJRJSZSDVJXLLR-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine?
The IUPAC name of 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine (CID 174269275) is 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine.
What is the SMILES notation for 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine?
The canonical SMILES for 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine is CCN1CC(Oc2cccc(S(=O)(=O)C(C)C)c2)C1.
What is the InChIKey of 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine?
The InChIKey is KJRJSZSDVJXLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-15-9-13(10-15)18-12-6-5-7-14(8-12)19(16,17)11(2)3/h5-8,11,13H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine?
1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine has a molecular weight of 283.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine is sourced from PubChem (CID 174269275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).