3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane

C11H21NO4S — CID 102930216

IUPAC3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H21NO4S/c1-17(13,14)7-6-15-10-8-11(16-9-10)2-4-12-5-3-11/h10,12H,2-9H2,1H3
InChIKeyHWKRZQFOMPXVAC-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.04
Rot. Bonds4

About 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane

3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930216) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930216
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H21NO4S/c1-17(13,14)7-6-15-10-8-11(16-9-10)2-4-12-5-3-11/h10,12H,2-9H2,1H3
InChIKeyHWKRZQFOMPXVAC-UHFFFAOYSA-N
XLogP-0.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930216) is 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane is CS(=O)(=O)CCOC1COC2(CCNCC2)C1.
What is the InChIKey of 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HWKRZQFOMPXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-17(13,14)7-6-15-10-8-11(16-9-10)2-4-12-5-3-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane?
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 263.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).