1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone

C13H23NO5S — CID 131662244

IUPAC1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone
SMILESCCOC1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H23NO5S/c1-3-18-11-8-13(19-9-11)4-6-14(7-5-13)12(15)10-20(2,16)17/h11H,3-10H2,1-2H3
InChIKeyPQYVSPGUXDVCLS-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.22
Rot. Bonds4

About 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone

1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone (PubChem CID 131662244) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone
PubChem CID131662244
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone
SMILESCCOC1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H23NO5S/c1-3-18-11-8-13(19-9-11)4-6-14(7-5-13)12(15)10-20(2,16)17/h11H,3-10H2,1-2H3
InChIKeyPQYVSPGUXDVCLS-UHFFFAOYSA-N
XLogP0.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone (CID 131662244) is 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone is CCOC1COC2(CCN(C(=O)CS(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone?
The InChIKey is PQYVSPGUXDVCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-3-18-11-8-13(19-9-11)4-6-14(7-5-13)12(15)10-20(2,16)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone?
1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone has a molecular weight of 305.40 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 131662244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).