9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane

C11H22NS+ — CID 91494378

IUPAC9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CCCCS2)CC1
InChIInChI=1S/C11H22NS/c1-12(2)8-6-11(7-9-12)5-3-4-10-13-11/h3-10H2,1-2H3/q+1
InChIKeyFWTUCXNPSZCFNJ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.51
Rot. Bonds

About 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane

9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane (PubChem CID 91494378) has the molecular formula C11H22NS+ and a molecular weight of 200.37 g/mol. Its IUPAC name is 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane
PubChem CID91494378
Molecular FormulaC11H22NS+
Molecular Weight200.37 g/mol
Exact Mass200.15
IUPAC Name9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CCCCS2)CC1
InChIInChI=1S/C11H22NS/c1-12(2)8-6-11(7-9-12)5-3-4-10-13-11/h3-10H2,1-2H3/q+1
InChIKeyFWTUCXNPSZCFNJ-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.51
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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CID 13285221
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CID 12869921
3-Fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine
CID 146320602
2-(2-Piperidinoethyl)hexyl sulfide hydrochloride
CID 129787692
2-{8,8-Dimethyl-9-thia-2-azaspiro[5.5]undecan-2-YL}acetonitrile
CID 4385062
1-(2-Heptylsulfanylethyl)piperidine
CID 18965281
10-Ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
CID 20676440
4-Methyl-1-(thian-4-yl)piperidine
CID 20758867
4-(4-Methylcyclohexyl)thiomorpholine
CID 20761843
3,3,7-Trimethyl-3lambda4-thia-7-azabicyclo[3.3.1]nonane
CID 21021856
7,9-Dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 21132332
4-[(1-Methylpiperidin-4-yl)methyl]thiomorpholine
CID 57555323

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane?
The IUPAC name of 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane (CID 91494378) is 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane.
What is the SMILES notation for 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane?
The canonical SMILES for 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane is C[N+]1(C)CCC2(CCCCS2)CC1.
What is the InChIKey of 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane?
The InChIKey is FWTUCXNPSZCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NS/c1-12(2)8-6-11(7-9-12)5-3-4-10-13-11/h3-10H2,1-2H3/q+1.
What are the key properties of 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane?
9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane has a molecular weight of 200.37 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-thia-9-azoniaspiro[5.5]undecane is sourced from PubChem (CID 91494378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).