3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

C16H22FNO4S — CID 118741233

IUPAC3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C16H22FNO4S/c1-2-21-14-11-16(22-12-14)6-8-18(9-7-16)23(19,20)15-5-3-4-13(17)10-15/h3-5,10,14H,2,6-9,11-12H2,1H3
InChIKeyNCOQOZLWMYVLKR-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.17
Rot. Bonds4

About 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118741233) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118741233
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C16H22FNO4S/c1-2-21-14-11-16(22-12-14)6-8-18(9-7-16)23(19,20)15-5-3-4-13(17)10-15/h3-5,10,14H,2,6-9,11-12H2,1H3
InChIKeyNCOQOZLWMYVLKR-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794
9-(4-Fluorobenzenesulfonyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907683
4-(Cyclopropylmethoxy)-9-(4-fluorobenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907702
1-(4-Fluorobenzenesulfonyl)-4-(2-methoxyethoxy)piperidine
CID 91907780
2-(3-Fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
CID 91915839
9-(4-Fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
CID 91918122
(2S,3aS,7aR)-5-(4-fluorophenyl)sulfonyl-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97367267
(2S,3aS,7aS)-5-(4-fluorophenyl)sulfonyl-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97369329
(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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 118741233) is 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NCOQOZLWMYVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-2-21-14-11-16(22-12-14)6-8-18(9-7-16)23(19,20)15-5-3-4-13(17)10-15/h3-5,10,14H,2,6-9,11-12H2,1H3.
What are the key properties of 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 343.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-(3-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).