8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C11H21NO4S — CID 134689176

IUPAC8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OC)CO2
InChIInChI=1S/C11H21NO4S/c1-3-17(13,14)12-6-4-11(5-7-12)8-10(15-2)9-16-11/h10H,3-9H2,1-2H3
InChIKeyWBWDQHUIUJHDHY-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.61
Rot. Bonds3

About 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134689176) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID134689176
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OC)CO2
InChIInChI=1S/C11H21NO4S/c1-3-17(13,14)12-6-4-11(5-7-12)8-10(15-2)9-16-11/h10H,3-9H2,1-2H3
InChIKeyWBWDQHUIUJHDHY-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 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 134689176) is 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)CC(OC)CO2.
What is the InChIKey of 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WBWDQHUIUJHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-17(13,14)12-6-4-11(5-7-12)8-10(15-2)9-16-11/h10H,3-9H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
8-ethylsulfonyl-3-methoxy-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 8-ethylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134689176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).