8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H23NO4S — CID 79006142

IUPAC8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO4S/c1-2-18(14,15)11-3-6-13-7-4-12(5-8-13)16-9-10-17-12/h2-11H2,1H3
InChIKeyZJAFTBUZQBUSIX-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.65
Rot. Bonds5

About 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 79006142) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID79006142
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO4S/c1-2-18(14,15)11-3-6-13-7-4-12(5-8-13)16-9-10-17-12/h2-11H2,1H3
InChIKeyZJAFTBUZQBUSIX-UHFFFAOYSA-N
XLogP0.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 79006142) is 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is CCS(=O)(=O)CCCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ZJAFTBUZQBUSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-2-18(14,15)11-3-6-13-7-4-12(5-8-13)16-9-10-17-12/h2-11H2,1H3.
What are the key properties of 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 277.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79006142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).