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

C17H25NO4S — CID 118741140

IUPAC3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1
InChIInChI=1S/C17H25NO4S/c1-3-21-15-12-17(22-13-15)7-9-18(10-8-17)23(19,20)16-6-4-5-14(2)11-16/h4-6,11,15H,3,7-10,12-13H2,1-2H3
InChIKeyVYQVSTMLBMKREU-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.34
Rot. Bonds4

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

3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118741140) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118741140
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1
InChIInChI=1S/C17H25NO4S/c1-3-21-15-12-17(22-13-15)7-9-18(10-8-17)23(19,20)16-6-4-5-14(2)11-16/h4-6,11,15H,3,7-10,12-13H2,1-2H3
InChIKeyVYQVSTMLBMKREU-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118740866
8-[(2,5-Dimethylphenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467849
(3R*,4R*)-1-[(4-ethylphenyl)sulfonyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72876877
9-(4-Fluorobenzenesulfonyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907683
9-(4-Fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
CID 91918122
(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
(3S,5S)-9-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97419703
(3R,5S)-9-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97423041

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 118741140) is 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VYQVSTMLBMKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-3-21-15-12-17(22-13-15)7-9-18(10-8-17)23(19,20)16-6-4-5-14(2)11-16/h4-6,11,15H,3,7-10,12-13H2,1-2H3.
What are the key properties of 3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 2.34, 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-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118741140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).