9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane

C18H26FNO5S — CID 91918122

IUPAC9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESCOCCOC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FNO5S/c1-23-12-13-24-16-6-11-25-18(14-16)7-9-20(10-8-18)26(21,22)17-4-2-15(19)3-5-17/h2-5,16H,6-14H2,1H3
InChIKeyNPWQYEHGIHAOEW-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.19
Rot. Bonds6

About 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane

9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91918122) has the molecular formula C18H26FNO5S and a molecular weight of 387.47 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91918122
Molecular FormulaC18H26FNO5S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESCOCCOC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FNO5S/c1-23-12-13-24-16-6-11-25-18(14-16)7-9-20(10-8-18)26(21,22)17-4-2-15(19)3-5-17/h2-5,16H,6-14H2,1H3
InChIKeyNPWQYEHGIHAOEW-UHFFFAOYSA-N
XLogP2.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane (CID 91918122) is 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane is COCCOC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is NPWQYEHGIHAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO5S/c1-23-12-13-24-16-6-11-25-18(14-16)7-9-20(10-8-18)26(21,22)17-4-2-15(19)3-5-17/h2-5,16H,6-14H2,1H3.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane?
9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 387.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).