6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane

C13H26N2O2S — CID 106732813

IUPAC6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)CCN1CC(C)NCC12CCCC2
InChIInChI=1S/C13H26N2O2S/c1-3-18(16,17)9-8-15-10-12(2)14-11-13(15)6-4-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyZXJNYQMDPJCZSB-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds4

About 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane

6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 106732813) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID106732813
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)CCN1CC(C)NCC12CCCC2
InChIInChI=1S/C13H26N2O2S/c1-3-18(16,17)9-8-15-10-12(2)14-11-13(15)6-4-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyZXJNYQMDPJCZSB-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 106732813) is 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane is CCS(=O)(=O)CCN1CC(C)NCC12CCCC2.
What is the InChIKey of 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is ZXJNYQMDPJCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-18(16,17)9-8-15-10-12(2)14-11-13(15)6-4-5-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane?
6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 274.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106732813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).