10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane

C12H24NS+ — CID 20676440

IUPAC10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
SMILESCCC1CC(C)C[N+]2(CCSCC2)C1
InChIInChI=1S/C12H24NS/c1-3-12-8-11(2)9-13(10-12)4-6-14-7-5-13/h11-12H,3-10H2,1-2H3/q+1
InChIKeyYTZUFWYYQJDYIR-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.62
Rot. Bonds1

About 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane

10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane (PubChem CID 20676440) has the molecular formula C12H24NS+ and a molecular weight of 214.40 g/mol. Its IUPAC name is 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
PubChem CID20676440
Molecular FormulaC12H24NS+
Molecular Weight214.40 g/mol
Exact Mass214.16
IUPAC Name10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
SMILESCCC1CC(C)C[N+]2(CCSCC2)C1
InChIInChI=1S/C12H24NS/c1-3-12-8-11(2)9-13(10-12)4-6-14-7-5-13/h11-12H,3-10H2,1-2H3/q+1
InChIKeyYTZUFWYYQJDYIR-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane?
The IUPAC name of 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane (CID 20676440) is 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane.
What is the SMILES notation for 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane?
The canonical SMILES for 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane is CCC1CC(C)C[N+]2(CCSCC2)C1.
What is the InChIKey of 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane?
The InChIKey is YTZUFWYYQJDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NS/c1-3-12-8-11(2)9-13(10-12)4-6-14-7-5-13/h11-12H,3-10H2,1-2H3/q+1.
What are the key properties of 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane?
10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane has a molecular weight of 214.40 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane is sourced from PubChem (CID 20676440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).