2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine

C19H23NO3S — CID 45233810

IUPAC2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c1-24(21,22)20-12-13-23-18(15-20)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyZQZZRUXHALKMOY-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine

2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine (PubChem CID 45233810) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine
PubChem CID45233810
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c1-24(21,22)20-12-13-23-18(15-20)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyZQZZRUXHALKMOY-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine?
The IUPAC name of 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine (CID 45233810) is 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine?
The canonical SMILES for 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCOC(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine?
The InChIKey is ZQZZRUXHALKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-24(21,22)20-12-13-23-18(15-20)14-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine?
2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-4-methylsulfonylmorpholine is sourced from PubChem (CID 45233810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).