2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine

C14H20ClNO3S — CID 102938072

IUPAC2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(CCl)C2)cc1C
InChIInChI=1S/C14H20ClNO3S/c1-10-4-5-14(6-11(10)2)20(17,18)16-8-12(3)19-13(7-15)9-16/h4-6,12-13H,7-9H2,1-3H3
InChIKeyJYXRXMXZERMJAL-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.32
Rot. Bonds3

About 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine

2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine (PubChem CID 102938072) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
PubChem CID102938072
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(CCl)C2)cc1C
InChIInChI=1S/C14H20ClNO3S/c1-10-4-5-14(6-11(10)2)20(17,18)16-8-12(3)19-13(7-15)9-16/h4-6,12-13H,7-9H2,1-3H3
InChIKeyJYXRXMXZERMJAL-UHFFFAOYSA-N
XLogP2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-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

2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
2-(chloromethyl)-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 107329426
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
2-(chloromethyl)-4-(1H-imidazol-5-ylsulfonyl)-6-methylmorpholine
CID 102938022
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8691099
2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine
CID 102938133
2-benzyl-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine (CID 102938072) is 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine is Cc1ccc(S(=O)(=O)N2CC(C)OC(CCl)C2)cc1C.
What is the InChIKey of 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The InChIKey is JYXRXMXZERMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-4-5-14(6-11(10)2)20(17,18)16-8-12(3)19-13(7-15)9-16/h4-6,12-13H,7-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine has a molecular weight of 317.84 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine is sourced from PubChem (CID 102938072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).