2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine

C20H25NO3S — CID 110644206

IUPAC2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-17-9-11-20(12-10-17)25(22,23)21-14-16(2)24-19(15-21)13-18-7-5-4-6-8-18/h4-12,16,19H,3,13-15H2,1-2H3
InChIKeyXUVKZWASPOAZQH-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.27
Rot. Bonds5

About 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine

2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine (PubChem CID 110644206) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
PubChem CID110644206
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H25NO3S/c1-3-17-9-11-20(12-10-17)25(22,23)21-14-16(2)24-19(15-21)13-18-7-5-4-6-8-18/h4-12,16,19H,3,13-15H2,1-2H3
InChIKeyXUVKZWASPOAZQH-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
2-benzyl-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
CID 110644216
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
2-phenylethyl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764337
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine?
The IUPAC name of 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine (CID 110644206) is 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine is CCc1ccc(S(=O)(=O)N2CC(C)OC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine?
The InChIKey is XUVKZWASPOAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-17-9-11-20(12-10-17)25(22,23)21-14-16(2)24-19(15-21)13-18-7-5-4-6-8-18/h4-12,16,19H,3,13-15H2,1-2H3.
What are the key properties of 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine?
2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine has a molecular weight of 359.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine is sourced from PubChem (CID 110644206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).