8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C10H19NO4S — CID 112726167

IUPAC8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO4S/c1-16(12,13)9-6-11-4-2-10(3-5-11)14-7-8-15-10/h2-9H2,1H3
InChIKeyIEKJJNBLTOQSLH-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.13
Rot. Bonds3

About 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112726167) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112726167
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO4S/c1-16(12,13)9-6-11-4-2-10(3-5-11)14-7-8-15-10/h2-9H2,1H3
InChIKeyIEKJJNBLTOQSLH-UHFFFAOYSA-N
XLogP-0.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 112726167) is 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is CS(=O)(=O)CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is IEKJJNBLTOQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(12,13)9-6-11-4-2-10(3-5-11)14-7-8-15-10/h2-9H2,1H3.
What are the key properties of 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112726167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).