cyclohexylmethyl-dimethyl-sulfanylazanium

C9H20NS+ — CID 143834523

IUPACcyclohexylmethyl-dimethyl-sulfanylazanium
SMILESC[N+](C)(S)CC1CCCCC1
InChIInChI=1S/C9H20NS/c1-10(2,11)8-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/q+1
InChIKeyOIXBPJMDFYWBPV-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.49
Rot. Bonds2

About cyclohexylmethyl-dimethyl-sulfanylazanium

cyclohexylmethyl-dimethyl-sulfanylazanium (PubChem CID 143834523) has the molecular formula C9H20NS+ and a molecular weight of 174.33 g/mol. Its IUPAC name is cyclohexylmethyl-dimethyl-sulfanylazanium.

Molecular Properties

Compound Namecyclohexylmethyl-dimethyl-sulfanylazanium
PubChem CID143834523
Molecular FormulaC9H20NS+
Molecular Weight174.33 g/mol
Exact Mass174.13
IUPAC Namecyclohexylmethyl-dimethyl-sulfanylazanium
SMILESC[N+](C)(S)CC1CCCCC1
InChIInChI=1S/C9H20NS/c1-10(2,11)8-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/q+1
InChIKeyOIXBPJMDFYWBPV-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl(trimethyl)azanium hydroxide
CID 12533371
cyclohexylmethyl(trimethyl)azanium fluoride
CID 25184933
1-cyclononyl-N,N-dimethylmethanamine oxide
CID 121011924
cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
CID 154694779
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
CID 162277252
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
cyclononylmethanethiol
CID 88545398
cyclopentadecylmethylcyclopentadecane
CID 91804599
ethylcyclooctane;fluoromethane
CID 174962953
propylcyclotetradecane
CID 90991550
ethane;fluoromethylcyclohexane
CID 143258726

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-dimethyl-sulfanylazanium?
The IUPAC name of cyclohexylmethyl-dimethyl-sulfanylazanium (CID 143834523) is cyclohexylmethyl-dimethyl-sulfanylazanium.
What is the SMILES notation for cyclohexylmethyl-dimethyl-sulfanylazanium?
The canonical SMILES for cyclohexylmethyl-dimethyl-sulfanylazanium is C[N+](C)(S)CC1CCCCC1.
What is the InChIKey of cyclohexylmethyl-dimethyl-sulfanylazanium?
The InChIKey is OIXBPJMDFYWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NS/c1-10(2,11)8-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/q+1.
What are the key properties of cyclohexylmethyl-dimethyl-sulfanylazanium?
cyclohexylmethyl-dimethyl-sulfanylazanium has a molecular weight of 174.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-dimethyl-sulfanylazanium is sourced from PubChem (CID 143834523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).