2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine

C18H21NO3S — CID 3274124

IUPAC2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C18H21NO3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyNDLPIVRSBPVHMK-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.15
Rot. Bonds3

About 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine

2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine (PubChem CID 3274124) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
PubChem CID3274124
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C18H21NO3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyNDLPIVRSBPVHMK-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine (CID 3274124) is 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine is CC1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine?
The InChIKey is NDLPIVRSBPVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine?
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine has a molecular weight of 331.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine is sourced from PubChem (CID 3274124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).