4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C18H29NO4S — CID 2968838

IUPAC4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29NO4S/c1-7-22-16-9-8-15(18(4,5)6)10-17(16)24(20,21)19-11-13(2)23-14(3)12-19/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyUAYZWTLAOPMILM-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.18
Rot. Bonds4

About 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2968838) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2968838
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29NO4S/c1-7-22-16-9-8-15(18(4,5)6)10-17(16)24(20,21)19-11-13(2)23-14(3)12-19/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyUAYZWTLAOPMILM-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2967885
2-methoxy-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747985
4-[(2-Methoxy-5-methylphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933021
4-(2-Methoxy-5-methylbenzenesulfonyl)morpholine
CID 775521
4-[(3-Isopropyl-4-methoxyphenyl)sulfonyl]morpholine
CID 971646
4-{1-[(2-Methoxy-5-methylphenyl)sulfonyl]piperidin-3-yl}morpholine
CID 23724010
4-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]morpholine
CID 747368

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2968838) is 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is UAYZWTLAOPMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-7-22-16-9-8-15(18(4,5)6)10-17(16)24(20,21)19-11-13(2)23-14(3)12-19/h8-10,13-14H,7,11-12H2,1-6H3.
What are the key properties of 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 355.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2968838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).