2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate

C17H23NO6S — CID 55449133

IUPAC2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
SMILESO=C(OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1
InChIInChI=1S/C17H23NO6S/c19-17(14-2-1-3-14)24-13-12-23-15-4-6-16(7-5-15)25(20,21)18-8-10-22-11-9-18/h4-7,14H,1-3,8-13H2
InChIKeyHYRVGPLFBQYPMJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.43
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate (PubChem CID 55449133) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
PubChem CID55449133
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Name2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
SMILESO=C(OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1
InChIInChI=1S/C17H23NO6S/c19-17(14-2-1-3-14)24-13-12-23-15-4-6-16(7-5-15)25(20,21)18-8-10-22-11-9-18/h4-7,14H,1-3,8-13H2
InChIKeyHYRVGPLFBQYPMJ-UHFFFAOYSA-N
XLogP1.43
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24685401
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
1-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908675
2-(4-cyanophenoxy)ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 30066412
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate (CID 55449133) is 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate is O=C(OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate?
The InChIKey is HYRVGPLFBQYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S/c19-17(14-2-1-3-14)24-13-12-23-15-4-6-16(7-5-15)25(20,21)18-8-10-22-11-9-18/h4-7,14H,1-3,8-13H2.
What are the key properties of 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate?
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate has a molecular weight of 369.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate is sourced from PubChem (CID 55449133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).