4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine

C14H21NO5S2 — CID 42926998

IUPAC4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC(C)O1
InChIInChI=1S/C14H21NO5S2/c1-10-8-15(9-11(2)20-10)13-6-5-12(21(3,16)17)7-14(13)22(4,18)19/h5-7,10-11H,8-9H2,1-4H3
InChIKeyRLIUPGWQIQPCPE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.11
Rot. Bonds3

About 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine

4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine (PubChem CID 42926998) has the molecular formula C14H21NO5S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
PubChem CID42926998
Molecular FormulaC14H21NO5S2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Name4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC(C)O1
InChIInChI=1S/C14H21NO5S2/c1-10-8-15(9-11(2)20-10)13-6-5-12(21(3,16)17)7-14(13)22(4,18)19/h5-7,10-11H,8-9H2,1-4H3
InChIKeyRLIUPGWQIQPCPE-UHFFFAOYSA-N
XLogP1.11
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
4-(2-bromo-4-ethylsulfonylphenyl)-2,6-dimethylmorpholine
CID 169336359
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217
(2R,4S)-1-[2,4-bis(methylsulfonyl)phenyl]-2,4-dimethylpiperidine
CID 95981451

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine (CID 42926998) is 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine is CC1CN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC(C)O1.
What is the InChIKey of 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine?
The InChIKey is RLIUPGWQIQPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S2/c1-10-8-15(9-11(2)20-10)13-6-5-12(21(3,16)17)7-14(13)22(4,18)19/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine?
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine has a molecular weight of 347.46 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 42926998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).