4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

C17H25NO4S — CID 91907689

IUPAC4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCOC2(CCN(S(=O)(=O)c3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO4S/c1-14-5-3-4-6-16(14)23(19,20)18-10-8-17(9-11-18)13-15(21-2)7-12-22-17/h3-6,15H,7-13H2,1-2H3
InChIKeyROPKSIMBPPGQCR-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.34
Rot. Bonds3

About 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907689) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907689
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCOC2(CCN(S(=O)(=O)c3ccccc3C)CC2)C1
InChIInChI=1S/C17H25NO4S/c1-14-5-3-4-6-16(14)23(19,20)18-10-8-17(9-11-18)13-15(21-2)7-12-22-17/h3-6,15H,7-13H2,1-2H3
InChIKeyROPKSIMBPPGQCR-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

(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
4-(Cyclopropylmethoxy)-9-(4-fluorobenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907702
1-Methyl-4-[(1-{[2-(trifluoromethyl)phenyl]sulfonyl}-4-piperidinyl)oxy]piperidine
CID 91916407
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
5-(Methoxymethyl)-9-(2-methylphenyl)sulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 118740783
5-(Methoxymethyl)-9-(4-methylphenyl)sulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 118740786
8-(4-Fluorophenyl)sulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118740863

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (CID 91907689) is 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is COC1CCOC2(CCN(S(=O)(=O)c3ccccc3C)CC2)C1.
What is the InChIKey of 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is ROPKSIMBPPGQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-14-5-3-4-6-16(14)23(19,20)18-10-8-17(9-11-18)13-15(21-2)7-12-22-17/h3-6,15H,7-13H2,1-2H3.
What are the key properties of 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 339.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).