10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane

C11H22N2S — CID 13092758

IUPAC10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CC2(CCS1)CNCCN2
InChIInChI=1S/C11H22N2S/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3
InChIKeyXCIXVAUMIGROCR-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.61
Rot. Bonds1

About 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane

10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane (PubChem CID 13092758) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane
PubChem CID13092758
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CC2(CCS1)CNCCN2
InChIInChI=1S/C11H22N2S/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3
InChIKeyXCIXVAUMIGROCR-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane (CID 13092758) is 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane is CCC1(C)CC2(CCS1)CNCCN2.
What is the InChIKey of 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane?
The InChIKey is XCIXVAUMIGROCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane?
10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane has a molecular weight of 214.38 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-10-methyl-9-thia-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 13092758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).