2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine

C19H23NO3S — CID 110644108

IUPAC2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1ccccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C19H23NO3S/c1-15-8-6-7-11-19(15)24(21,22)20-13-18(23-14-16(20)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3
InChIKeyIYIDWMYQHJGPJU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.02
Rot. Bonds4

About 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine

2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine (PubChem CID 110644108) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
PubChem CID110644108
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1ccccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1C
InChIInChI=1S/C19H23NO3S/c1-15-8-6-7-11-19(15)24(21,22)20-13-18(23-14-16(20)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3
InChIKeyIYIDWMYQHJGPJU-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine (CID 110644108) is 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine is Cc1ccccc1S(=O)(=O)N1CC(Cc2ccccc2)OCC1C.
What is the InChIKey of 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine?
The InChIKey is IYIDWMYQHJGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-8-6-7-11-19(15)24(21,22)20-13-18(23-14-16(20)2)12-17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3.
What are the key properties of 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine?
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110644108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).