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

C13H25NO4S — CID 103713888

IUPAC8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)S(=O)(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-12(2,3)19(15,16)11-8-14-6-4-13(5-7-14)17-9-10-18-13/h4-11H2,1-3H3
InChIKeyDZAOVUFBYOQJED-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.04
Rot. Bonds3

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

8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 103713888) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID103713888
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)S(=O)(=O)CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H25NO4S/c1-12(2,3)19(15,16)11-8-14-6-4-13(5-7-14)17-9-10-18-13/h4-11H2,1-3H3
InChIKeyDZAOVUFBYOQJED-UHFFFAOYSA-N
XLogP1.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 103713888) is 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is CC(C)(C)S(=O)(=O)CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DZAOVUFBYOQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-12(2,3)19(15,16)11-8-14-6-4-13(5-7-14)17-9-10-18-13/h4-11H2,1-3H3.
What are the key properties of 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 291.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-tert-butylsulfonylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 103713888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).