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

C20H25NO3S — CID 110644203

IUPAC2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C20H25NO3S/c1-15-9-10-20(11-16(15)2)25(22,23)21-13-17(3)24-19(14-21)12-18-7-5-4-6-8-18/h4-11,17,19H,12-14H2,1-3H3
InChIKeyLBRIFOACCAEEBS-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.32
Rot. Bonds4

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

2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine (PubChem CID 110644203) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
PubChem CID110644203
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C20H25NO3S/c1-15-9-10-20(11-16(15)2)25(22,23)21-13-17(3)24-19(14-21)12-18-7-5-4-6-8-18/h4-11,17,19H,12-14H2,1-3H3
InChIKeyLBRIFOACCAEEBS-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-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-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224
2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
CID 110644206
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
CID 110644216
2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 102938072
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The IUPAC name of 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine (CID 110644203) is 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The canonical SMILES for 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine is Cc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1C.
What is the InChIKey of 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
The InChIKey is LBRIFOACCAEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-15-9-10-20(11-16(15)2)25(22,23)21-13-17(3)24-19(14-21)12-18-7-5-4-6-8-18/h4-11,17,19H,12-14H2,1-3H3.
What are the key properties of 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine?
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine has a molecular weight of 359.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine is sourced from PubChem (CID 110644203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).