4-benzylsulfonyl-5-methyl-2-phenylmorpholine

C18H21NO3S — CID 110369410

IUPAC4-benzylsulfonyl-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO3S/c1-15-13-22-18(17-10-6-3-7-11-17)12-19(15)23(20,21)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyZXUFFDBIXFVLSG-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.98
Rot. Bonds4

About 4-benzylsulfonyl-5-methyl-2-phenylmorpholine

4-benzylsulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 110369410) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-benzylsulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-benzylsulfonyl-5-methyl-2-phenylmorpholine
PubChem CID110369410
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-benzylsulfonyl-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO3S/c1-15-13-22-18(17-10-6-3-7-11-17)12-19(15)23(20,21)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKeyZXUFFDBIXFVLSG-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-benzylsulfonyl-5-methyl-2-phenylmorpholine (CID 110369410) is 4-benzylsulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-benzylsulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-benzylsulfonyl-5-methyl-2-phenylmorpholine is CC1COC(c2ccccc2)CN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-benzylsulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is ZXUFFDBIXFVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-15-13-22-18(17-10-6-3-7-11-17)12-19(15)23(20,21)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3.
What are the key properties of 4-benzylsulfonyl-5-methyl-2-phenylmorpholine?
4-benzylsulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 331.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).