4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C17H27NO5S — CID 6460147

IUPAC4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(OCC)cc1C
InChIInChI=1S/C17H27NO5S/c1-6-21-15-9-17(16(22-7-2)8-12(15)3)24(19,20)18-10-13(4)23-14(5)11-18/h8-9,13-14H,6-7,10-11H2,1-5H3
InChIKeyHBLBLZKAOHDCBY-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.59
Rot. Bonds6

About 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 6460147) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID6460147
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC Name4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(OCC)cc1C
InChIInChI=1S/C17H27NO5S/c1-6-21-15-9-17(16(22-7-2)8-12(15)3)24(19,20)18-10-13(4)23-14(5)11-18/h8-9,13-14H,6-7,10-11H2,1-5H3
InChIKeyHBLBLZKAOHDCBY-UHFFFAOYSA-N
XLogP2.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 1243645
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185861

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 6460147) is 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(OCC)cc1C.
What is the InChIKey of 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HBLBLZKAOHDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-6-21-15-9-17(16(22-7-2)8-12(15)3)24(19,20)18-10-13(4)23-14(5)11-18/h8-9,13-14H,6-7,10-11H2,1-5H3.
What are the key properties of 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 357.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 6460147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).