2-benzyl-4-(2-phenylethylsulfonyl)morpholine

C19H23NO3S — CID 110643972

IUPAC2-benzyl-4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c21-24(22,14-11-17-7-3-1-4-8-17)20-12-13-23-19(16-20)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyLNMDDXDCLPFXIS-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.50
Rot. Bonds6

About 2-benzyl-4-(2-phenylethylsulfonyl)morpholine

2-benzyl-4-(2-phenylethylsulfonyl)morpholine (PubChem CID 110643972) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-benzyl-4-(2-phenylethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-benzyl-4-(2-phenylethylsulfonyl)morpholine
PubChem CID110643972
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-benzyl-4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C19H23NO3S/c21-24(22,14-11-17-7-3-1-4-8-17)20-12-13-23-19(16-20)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyLNMDDXDCLPFXIS-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
2-phenyl-3-(2-phenylethylsulfonyl)-1,3-oxazolidine
CID 110740382
1-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627597

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(2-phenylethylsulfonyl)morpholine?
The IUPAC name of 2-benzyl-4-(2-phenylethylsulfonyl)morpholine (CID 110643972) is 2-benzyl-4-(2-phenylethylsulfonyl)morpholine.
What is the SMILES notation for 2-benzyl-4-(2-phenylethylsulfonyl)morpholine?
The canonical SMILES for 2-benzyl-4-(2-phenylethylsulfonyl)morpholine is O=S(=O)(CCc1ccccc1)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-(2-phenylethylsulfonyl)morpholine?
The InChIKey is LNMDDXDCLPFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c21-24(22,14-11-17-7-3-1-4-8-17)20-12-13-23-19(16-20)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 2-benzyl-4-(2-phenylethylsulfonyl)morpholine?
2-benzyl-4-(2-phenylethylsulfonyl)morpholine has a molecular weight of 345.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(2-phenylethylsulfonyl)morpholine is sourced from PubChem (CID 110643972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).