2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine

C19H23NO3S — CID 110369031

IUPAC2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
SMILESCc1ccc(CS(=O)(=O)N2CC(C)OC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-8-10-17(11-9-15)14-24(21,22)20-12-16(2)23-19(13-20)18-6-4-3-5-7-18/h3-11,16,19H,12-14H2,1-2H3
InChIKeyNBNRTTHZAJAZIQ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine

2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine (PubChem CID 110369031) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
PubChem CID110369031
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
SMILESCc1ccc(CS(=O)(=O)N2CC(C)OC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-8-10-17(11-9-15)14-24(21,22)20-12-16(2)23-19(13-20)18-6-4-3-5-7-18/h3-11,16,19H,12-14H2,1-2H3
InChIKeyNBNRTTHZAJAZIQ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-phenyl-4-(2-phenylethylsulfonyl)morpholine
CID 47958840
4-butylsulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369118
[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
CID 43105697
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine (CID 110369031) is 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine is Cc1ccc(CS(=O)(=O)N2CC(C)OC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine?
The InChIKey is NBNRTTHZAJAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-8-10-17(11-9-15)14-24(21,22)20-12-16(2)23-19(13-20)18-6-4-3-5-7-18/h3-11,16,19H,12-14H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine?
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine is sourced from PubChem (CID 110369031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).