4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine

C18H21NO3S — CID 110644067

IUPAC4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-15-14-22-17(12-16-8-4-2-5-9-16)13-19(15)23(20,21)18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3
InChIKeyQOCTXXZASKWPTJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.71
Rot. Bonds4

About 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine

4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine (PubChem CID 110644067) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
PubChem CID110644067
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-15-14-22-17(12-16-8-4-2-5-9-16)13-19(15)23(20,21)18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3
InChIKeyQOCTXXZASKWPTJ-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
2-(bromomethyl)-4-(4-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81212012
4-(3-bromophenyl)sulfonyl-2-(chloromethyl)-5-methylmorpholine
CID 81211858

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine?
The IUPAC name of 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine (CID 110644067) is 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine is CC1COC(Cc2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine?
The InChIKey is QOCTXXZASKWPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-15-14-22-17(12-16-8-4-2-5-9-16)13-19(15)23(20,21)18-10-6-3-7-11-18/h2-11,15,17H,12-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine?
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine has a molecular weight of 331.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine is sourced from PubChem (CID 110644067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).