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

C20H24FNO3S — CID 110327583

IUPAC2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
SMILESCc1ccccc1CS(=O)(=O)N1CC(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C20H24FNO3S/c1-15-6-4-5-7-17(15)13-26(23,24)22-12-19(25-14-20(22,2)3)16-8-10-18(21)11-9-16/h4-11,19H,12-14H2,1-3H3
InChIKeyXNWMASMNKZJFAJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.82
Rot. Bonds4

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

2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine (PubChem CID 110327583) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
PubChem CID110327583
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine
SMILESCc1ccccc1CS(=O)(=O)N1CC(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C20H24FNO3S/c1-15-6-4-5-7-17(15)13-26(23,24)22-12-19(25-14-20(22,2)3)16-8-10-18(21)11-9-16/h4-11,19H,12-14H2,1-3H3
InChIKeyXNWMASMNKZJFAJ-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110327395
4-(4-ethylphenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327570
4-(3-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-5,5-dimethylmorpholine
CID 110327595
4-butylsulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327467
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
4-(2-chlorophenyl)sulfonyl-5,5-dimethyl-2-(4-methylphenyl)morpholine
CID 110327496
4-(4-fluoro-2-methylphenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368961
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine (CID 110327583) is 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine is Cc1ccccc1CS(=O)(=O)N1CC(c2ccc(F)cc2)OCC1(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine?
The InChIKey is XNWMASMNKZJFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-15-6-4-5-7-17(15)13-26(23,24)22-12-19(25-14-20(22,2)3)16-8-10-18(21)11-9-16/h4-11,19H,12-14H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine?
2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine has a molecular weight of 377.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,5-dimethyl-4-[(2-methylphenyl)methylsulfonyl]morpholine is sourced from PubChem (CID 110327583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).