8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C16H29NO5S — CID 131644384

IUPAC8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3
InChIKeyYGDFEBDYZYFYLV-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.40
Rot. Bonds5

About 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131644384) has the molecular formula C16H29NO5S and a molecular weight of 347.48 g/mol. Its IUPAC name is 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131644384
Molecular FormulaC16H29NO5S
Molecular Weight347.48 g/mol
Exact Mass347.18
IUPAC Name8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3
InChIKeyYGDFEBDYZYFYLV-UHFFFAOYSA-N
XLogP1.40
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 131644384) is 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)CC(OCC1CCOCC1)CO2.
What is the InChIKey of 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YGDFEBDYZYFYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5S/c1-2-23(18,19)17-7-5-16(6-8-17)11-15(13-22-16)21-12-14-3-9-20-10-4-14/h14-15H,2-13H2,1H3.
What are the key properties of 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 347.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131644384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).