5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine

C19H23NO3S — CID 110369412

IUPAC5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCc1cccc(CS(=O)(=O)N2CC(c3ccccc3)OCC2C)c1
InChIInChI=1S/C19H23NO3S/c1-15-7-6-8-17(11-15)14-24(21,22)20-12-19(23-13-16(20)2)18-9-4-3-5-10-18/h3-11,16,19H,12-14H2,1-2H3
InChIKeyHGPRPOQAGJNXSF-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.29
Rot. Bonds4

About 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine

5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 110369412) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID110369412
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCc1cccc(CS(=O)(=O)N2CC(c3ccccc3)OCC2C)c1
InChIInChI=1S/C19H23NO3S/c1-15-7-6-8-17(11-15)14-24(21,22)20-12-19(23-13-16(20)2)18-9-4-3-5-10-18/h3-11,16,19H,12-14H2,1-2H3
InChIKeyHGPRPOQAGJNXSF-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

4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
5-[(3-methylphenyl)methylsulfonyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 122245178
3,5-dimethyl-4-[(3-methylphenyl)methylsulfonyl]morpholine
CID 110292405
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
3-methyl-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 110750687
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
(3S,4R)-1-[(3-methylphenyl)methylsulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine (CID 110369412) is 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine is Cc1cccc(CS(=O)(=O)N2CC(c3ccccc3)OCC2C)c1.
What is the InChIKey of 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is HGPRPOQAGJNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-7-6-8-17(11-15)14-24(21,22)20-12-19(23-13-16(20)2)18-9-4-3-5-10-18/h3-11,16,19H,12-14H2,1-2H3.
What are the key properties of 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-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 5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 110369412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).