4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine

C16H25NO4S — CID 935156

IUPAC4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H25NO4S/c1-5-21-15-10-13(4)14(12(2)3)11-16(15)22(18,19)17-6-8-20-9-7-17/h10-12H,5-9H2,1-4H3
InChIKeyLNLUAOLCFPGIEA-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.54
Rot. Bonds5

About 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine

4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 935156) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID935156
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H25NO4S/c1-5-21-15-10-13(4)14(12(2)3)11-16(15)22(18,19)17-6-8-20-9-7-17/h10-12H,5-9H2,1-4H3
InChIKeyLNLUAOLCFPGIEA-UHFFFAOYSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (CID 935156) is 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is LNLUAOLCFPGIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-5-21-15-10-13(4)14(12(2)3)11-16(15)22(18,19)17-6-8-20-9-7-17/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 327.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 935156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).