6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine

C15H22BrNO3S — CID 114781050

IUPAC6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine
SMILESCCS(=O)(=O)c1ccccc1N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C15H22BrNO3S/c1-4-21(18,19)14-8-6-5-7-13(14)17-10-12(9-16)20-15(2,3)11-17/h5-8,12H,4,9-11H2,1-3H3
InChIKeyFGXQEBKHIBVRLX-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.86
Rot. Bonds4

About 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine (PubChem CID 114781050) has the molecular formula C15H22BrNO3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine
PubChem CID114781050
Molecular FormulaC15H22BrNO3S
Molecular Weight376.32 g/mol
Exact Mass375.05
IUPAC Name6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine
SMILESCCS(=O)(=O)c1ccccc1N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C15H22BrNO3S/c1-4-21(18,19)14-8-6-5-7-13(14)17-10-12(9-16)20-15(2,3)11-17/h5-8,12H,4,9-11H2,1-3H3
InChIKeyFGXQEBKHIBVRLX-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
2-(bromomethyl)-1-(2-ethylsulfonylphenyl)pyrrolidine
CID 80667738
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
CID 103577492
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-ethylthiophen-2-yl)methanone
CID 114781702
6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
CID 114781805
4-(azepan-1-ylsulfonyl)-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781878

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine (CID 114781050) is 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine is CCS(=O)(=O)c1ccccc1N1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine?
The InChIKey is FGXQEBKHIBVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3S/c1-4-21(18,19)14-8-6-5-7-13(14)17-10-12(9-16)20-15(2,3)11-17/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine has a molecular weight of 376.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(2-ethylsulfonylphenyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114781050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).