2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine

C14H20BrNO3S — CID 102937216

IUPAC2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
SMILESCCS(=O)(=O)c1ccc(N2CC(C)OC(CBr)C2)cc1
InChIInChI=1S/C14H20BrNO3S/c1-3-20(17,18)14-6-4-12(5-7-14)16-9-11(2)19-13(8-15)10-16/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyOGDHHXSEOPOBRN-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.47
Rot. Bonds4

About 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine

2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine (PubChem CID 102937216) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
PubChem CID102937216
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
SMILESCCS(=O)(=O)c1ccc(N2CC(C)OC(CBr)C2)cc1
InChIInChI=1S/C14H20BrNO3S/c1-3-20(17,18)14-6-4-12(5-7-14)16-9-11(2)19-13(8-15)10-16/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyOGDHHXSEOPOBRN-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
4-(2-bromo-4-ethylsulfonylphenyl)-2,6-dimethylmorpholine
CID 169336359
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 99790126
(2R,6S)-4-(4-ethylsulfonylphenyl)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 99790188
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 57328464
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
2-(bromomethyl)-4-cyclopropylsulfonyl-6-methylmorpholine
CID 102938116
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine (CID 102937216) is 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine is CCS(=O)(=O)c1ccc(N2CC(C)OC(CBr)C2)cc1.
What is the InChIKey of 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine?
The InChIKey is OGDHHXSEOPOBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-3-20(17,18)14-6-4-12(5-7-14)16-9-11(2)19-13(8-15)10-16/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine?
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine has a molecular weight of 362.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine is sourced from PubChem (CID 102937216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).