2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

C10H19NO4S — CID 90537488

IUPAC2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C10H19NO4S/c1-4-16(12,13)11-5-10(6-11)7-14-9(2,3)15-8-10/h4-8H2,1-3H3
InChIKeyOOHBKLCYVACCGE-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.42
Rot. Bonds2

About 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 90537488) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID90537488
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C10H19NO4S/c1-4-16(12,13)11-5-10(6-11)7-14-9(2,3)15-8-10/h4-8H2,1-3H3
InChIKeyOOHBKLCYVACCGE-UHFFFAOYSA-N
XLogP0.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 90537488) is 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is CCS(=O)(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is OOHBKLCYVACCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-16(12,13)11-5-10(6-11)7-14-9(2,3)15-8-10/h4-8H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 249.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 90537488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).