4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine

C15H23NO5S2 — CID 48629637

IUPAC4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO5S2/c1-5-22(17,18)13-6-8-14(9-7-13)23(19,20)16-10-12(2)21-15(3,4)11-16/h6-9,12H,5,10-11H2,1-4H3
InChIKeyXANHBJDOCLBMNI-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.67
Rot. Bonds4

About 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine

4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine (PubChem CID 48629637) has the molecular formula C15H23NO5S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
PubChem CID48629637
Molecular FormulaC15H23NO5S2
Molecular Weight361.49 g/mol
Exact Mass361.10
IUPAC Name4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H23NO5S2/c1-5-22(17,18)13-6-8-14(9-7-13)23(19,20)16-10-12(2)21-15(3,4)11-16/h6-9,12H,5,10-11H2,1-4H3
InChIKeyXANHBJDOCLBMNI-UHFFFAOYSA-N
XLogP1.67
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2,2,6-trimethylmorpholine
CID 48629728
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 115602772
2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47429921
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987
1-[5-(2,2,6-trimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 48629717
4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629705
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
2,6-difluoro-3-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 107343465

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine (CID 48629637) is 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine is CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1.
What is the InChIKey of 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The InChIKey is XANHBJDOCLBMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S2/c1-5-22(17,18)13-6-8-14(9-7-13)23(19,20)16-10-12(2)21-15(3,4)11-16/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine has a molecular weight of 361.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine is sourced from PubChem (CID 48629637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).