8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

C16H24N2O4S — CID 118743172

IUPAC8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C16H24N2O4S/c1-2-23(19,20)18-8-5-16(6-9-18)10-15(22-13-16)12-21-14-4-3-7-17-11-14/h3-4,7,11,15H,2,5-6,8-10,12-13H2,1H3
InChIKeyCDDIUUIAWQRDKD-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.68
Rot. Bonds5

About 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118743172) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID118743172
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)COC(COc1cccnc1)C2
InChIInChI=1S/C16H24N2O4S/c1-2-23(19,20)18-8-5-16(6-9-18)10-15(22-13-16)12-21-14-4-3-7-17-11-14/h3-4,7,11,15H,2,5-6,8-10,12-13H2,1H3
InChIKeyCDDIUUIAWQRDKD-UHFFFAOYSA-N
XLogP1.68
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 118743172) is 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)COC(COc1cccnc1)C2.
What is the InChIKey of 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is CDDIUUIAWQRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-23(19,20)18-8-5-16(6-9-18)10-15(22-13-16)12-21-14-4-3-7-17-11-14/h3-4,7,11,15H,2,5-6,8-10,12-13H2,1H3.
What are the key properties of 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 340.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118743172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).