4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine

C14H21NO4S — CID 6472847

IUPAC4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine
SMILESCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-3-8-19-14-5-4-13(11-12(14)2)20(16,17)15-6-9-18-10-7-15/h4-5,11H,3,6-10H2,1-2H3
InChIKeyAUBLZKJJEIDQMP-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.80
Rot. Bonds5

About 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine

4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine (PubChem CID 6472847) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine
PubChem CID6472847
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine
SMILESCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-3-8-19-14-5-4-13(11-12(14)2)20(16,17)15-6-9-18-10-7-15/h4-5,11H,3,6-10H2,1-2H3
InChIKeyAUBLZKJJEIDQMP-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 899243
CID 899243
CID 976573
CID 976573
CID 796473
CID 796473
CID 847009
CID 847009
CID 18971452
CID 18971452
CID 723649
CID 723649
CID 701306
CID 701306
CID 801474
CID 801474
CID 850044
CID 850044
CID 850074
CID 850074
CID 934719
CID 934719
CID 1243945
CID 1243945

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine (CID 6472847) is 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine is CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C.
What is the InChIKey of 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine?
The InChIKey is AUBLZKJJEIDQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-8-19-14-5-4-13(11-12(14)2)20(16,17)15-6-9-18-10-7-15/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine?
4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-propoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 6472847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).