(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine

C19H23NO3S — CID 125138388

IUPAC(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
SMILESCCS(=O)(=O)c1ccc(N2CCO[C@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-24(21,22)19-10-8-17(9-11-19)20-12-13-23-18(15-20)14-16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3/t18-/m1/s1
InChIKeyPZYGMMGAGHWLIK-GOSISDBHSA-N
MW345.46 g/mol
LogP2.93
Rot. Bonds5

About (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine

(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine (PubChem CID 125138388) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
PubChem CID125138388
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
SMILESCCS(=O)(=O)c1ccc(N2CCO[C@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-24(21,22)19-10-8-17(9-11-19)20-12-13-23-18(15-20)14-16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3/t18-/m1/s1
InChIKeyPZYGMMGAGHWLIK-GOSISDBHSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 99790126
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
CID 115538578
2-(chloromethyl)-4-(4-methylsulfonylphenyl)morpholine
CID 81209851
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
2-[(3,5-dimethylphenyl)methyl]-4-(4-methylphenyl)morpholine
CID 123412712
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)morpholine
CID 23627508
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine?
The IUPAC name of (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine (CID 125138388) is (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine.
What is the SMILES notation for (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine?
The canonical SMILES for (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine is CCS(=O)(=O)c1ccc(N2CCO[C@H](Cc3ccccc3)C2)cc1.
What is the InChIKey of (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine?
The InChIKey is PZYGMMGAGHWLIK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-24(21,22)19-10-8-17(9-11-19)20-12-13-23-18(15-20)14-16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine?
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine has a molecular weight of 345.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine is sourced from PubChem (CID 125138388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).