2-benzyl-4-benzylsulfonyl-5-methylmorpholine

C19H23NO3S — CID 110644092

IUPAC2-benzyl-4-benzylsulfonyl-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-16-14-23-19(12-17-8-4-2-5-9-17)13-20(16)24(21,22)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyKJKJWXLNMICNJZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.85
Rot. Bonds5

About 2-benzyl-4-benzylsulfonyl-5-methylmorpholine

2-benzyl-4-benzylsulfonyl-5-methylmorpholine (PubChem CID 110644092) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-benzyl-4-benzylsulfonyl-5-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-benzylsulfonyl-5-methylmorpholine
PubChem CID110644092
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-benzyl-4-benzylsulfonyl-5-methylmorpholine
SMILESCC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-16-14-23-19(12-17-8-4-2-5-9-17)13-20(16)24(21,22)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyKJKJWXLNMICNJZ-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-benzylsulfonyl-5-methylmorpholine?
The IUPAC name of 2-benzyl-4-benzylsulfonyl-5-methylmorpholine (CID 110644092) is 2-benzyl-4-benzylsulfonyl-5-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-benzylsulfonyl-5-methylmorpholine?
The canonical SMILES for 2-benzyl-4-benzylsulfonyl-5-methylmorpholine is CC1COC(Cc2ccccc2)CN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-benzylsulfonyl-5-methylmorpholine?
The InChIKey is KJKJWXLNMICNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-14-23-19(12-17-8-4-2-5-9-17)13-20(16)24(21,22)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 2-benzyl-4-benzylsulfonyl-5-methylmorpholine?
2-benzyl-4-benzylsulfonyl-5-methylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-benzylsulfonyl-5-methylmorpholine is sourced from PubChem (CID 110644092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).