5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine

C20H25NO3S — CID 110327395

IUPAC5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCc1ccccc1CS(=O)(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C20H25NO3S/c1-16-9-7-8-12-18(16)14-25(22,23)21-13-19(24-15-20(21,2)3)17-10-5-4-6-11-17/h4-12,19H,13-15H2,1-3H3
InChIKeyXUXKUBCBFXBICO-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.68
Rot. Bonds4

About 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine

5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 110327395) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID110327395
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
SMILESCc1ccccc1CS(=O)(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C20H25NO3S/c1-16-9-7-8-12-18(16)14-25(22,23)21-13-19(24-15-20(21,2)3)17-10-5-4-6-11-17/h4-12,19H,13-15H2,1-3H3
InChIKeyXUXKUBCBFXBICO-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
CID 110327583
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
CID 120610322
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine (CID 110327395) is 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine is Cc1ccccc1CS(=O)(=O)N1CC(c2ccccc2)OCC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is XUXKUBCBFXBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16-9-7-8-12-18(16)14-25(22,23)21-13-19(24-15-20(21,2)3)17-10-5-4-6-11-17/h4-12,19H,13-15H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine?
5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine has a molecular weight of 359.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 110327395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).