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

C16H22FNO4S — CID 91907683

IUPAC9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H22FNO4S/c1-21-14-6-11-22-16(12-14)7-9-18(10-8-16)23(19,20)15-4-2-13(17)3-5-15/h2-5,14H,6-12H2,1H3
InChIKeyFOOKVVLNNVHOCZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.17
Rot. Bonds3

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

9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907683) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907683
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H22FNO4S/c1-21-14-6-11-22-16(12-14)7-9-18(10-8-16)23(19,20)15-4-2-13(17)3-5-15/h2-5,14H,6-12H2,1H3
InChIKeyFOOKVVLNNVHOCZ-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclopropylmethoxy)-9-(4-fluorobenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907702
9-(4-Fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
CID 91918122
9-(4-Fluorobenzenesulfonyl)-4-(morpholin-4-YL)-1-oxa-9-azaspiro[5.5]undecane
CID 91919068
(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419410
(3R,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419442
(3S,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419645
(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419674
8-(4-Fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118740863
3-Ethoxy-8-(4-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118740865
3-Ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118741140
3-Ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118741233
(3R*,4R*)-3-methyl-1-(phenylsulfonyl)-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72910114

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane (CID 91907683) is 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane is COC1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is FOOKVVLNNVHOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-21-14-6-11-22-16(12-14)7-9-18(10-8-16)23(19,20)15-4-2-13(17)3-5-15/h2-5,14H,6-12H2,1H3.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane?
9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 343.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-4-methoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).