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

C11H21NO4S — CID 78926270

IUPAC8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-17(13,14)10-2-5-12-6-3-11(4-7-12)15-8-9-16-11/h2-10H2,1H3
InChIKeyHEYWFSGAXRQXIN-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.26
Rot. Bonds4

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

8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 78926270) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID78926270
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCS(=O)(=O)CCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4S/c1-17(13,14)10-2-5-12-6-3-11(4-7-12)15-8-9-16-11/h2-10H2,1H3
InChIKeyHEYWFSGAXRQXIN-UHFFFAOYSA-N
XLogP0.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 78926270) is 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is CS(=O)(=O)CCCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HEYWFSGAXRQXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-17(13,14)10-2-5-12-6-3-11(4-7-12)15-8-9-16-11/h2-10H2,1H3.
What are the key properties of 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 263.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfonylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 78926270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).