3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C11H21NO4S — CID 133137736

IUPAC3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C11H21NO4S/c1-3-15-10-8-11(16-9-10)4-6-12(7-5-11)17(2,13)14/h10H,3-9H2,1-2H3
InChIKeyFIDSFKDCRAPGCF-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.61
Rot. Bonds3

About 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 133137736) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID133137736
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C11H21NO4S/c1-3-15-10-8-11(16-9-10)4-6-12(7-5-11)17(2,13)14/h10H,3-9H2,1-2H3
InChIKeyFIDSFKDCRAPGCF-UHFFFAOYSA-N
XLogP0.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 133137736) is 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FIDSFKDCRAPGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-15-10-8-11(16-9-10)4-6-12(7-5-11)17(2,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 263.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 133137736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).