5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane

C12H23NO4S — CID 131650714

IUPAC5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C12H23NO4S/c1-16-9-11-10-17-8-5-12(11)3-6-13(7-4-12)18(2,14)15/h11H,3-10H2,1-2H3
InChIKeyUVXLKDWYEIEMFM-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.71
Rot. Bonds3

About 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane

5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 131650714) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
PubChem CID131650714
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C12H23NO4S/c1-16-9-11-10-17-8-5-12(11)3-6-13(7-4-12)18(2,14)15/h11H,3-10H2,1-2H3
InChIKeyUVXLKDWYEIEMFM-UHFFFAOYSA-N
XLogP0.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
N,N-dimethyl-2-[[(5R)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476480
N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476479
(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475928
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
(5S)-5-(methoxymethyl)-9-[(5-methylfuran-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418481
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97418511

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane (CID 131650714) is 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane is COCC1COCCC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is UVXLKDWYEIEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-16-9-11-10-17-8-5-12(11)3-6-13(7-4-12)18(2,14)15/h11H,3-10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane?
5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 277.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 131650714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).