4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine

C13H19NO4S — CID 166828516

IUPAC4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-3-11-4-5-12(10-13(11)17-2)19(15,16)14-6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3
InChIKeyHNJKHVVNVMRUII-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.28
Rot. Bonds4

About 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine

4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine (PubChem CID 166828516) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
PubChem CID166828516
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
SMILESCCc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C13H19NO4S/c1-3-11-4-5-12(10-13(11)17-2)19(15,16)14-6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3
InChIKeyHNJKHVVNVMRUII-UHFFFAOYSA-N
XLogP1.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine (CID 166828516) is 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine is CCc1ccc(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine?
The InChIKey is HNJKHVVNVMRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-11-4-5-12(10-13(11)17-2)19(15,16)14-6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine?
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine has a molecular weight of 285.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 166828516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).