4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine

C18H27NO3S — CID 2932492

IUPAC4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C18H27NO3S/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/h8-11,14-16H,3-7,12-13H2,1-2H3
InChIKeyQBWOAWBMDYYGON-UHFFFAOYSA-N
MW337.48 g/mol
LogP3.53
Rot. Bonds3

About 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2932492) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2932492
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC Name4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C18H27NO3S/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/h8-11,14-16H,3-7,12-13H2,1-2H3
InChIKeyQBWOAWBMDYYGON-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylphenyl)sulfonylazetidin-3-amine
CID 65244291
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
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
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 23936818
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2932492) is 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)O1.
What is the InChIKey of 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is QBWOAWBMDYYGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/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/h8-11,14-16H,3-7,12-13H2,1-2H3.
What are the key properties of 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 337.48 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2932492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).