cyclohexyl-dimethyl-sulfanylazanium

C8H18NS+ — CID 143973159

IUPACcyclohexyl-dimethyl-sulfanylazanium
SMILESC[N+](C)(S)C1CCCCC1
InChIInChI=1S/C8H18NS/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3/q+1
InChIKeyVTUYXLSQOFIFQD-UHFFFAOYSA-N
MW160.31 g/mol
LogP2.24
Rot. Bonds1

About cyclohexyl-dimethyl-sulfanylazanium

cyclohexyl-dimethyl-sulfanylazanium (PubChem CID 143973159) has the molecular formula C8H18NS+ and a molecular weight of 160.31 g/mol. Its IUPAC name is cyclohexyl-dimethyl-sulfanylazanium.

Molecular Properties

Compound Namecyclohexyl-dimethyl-sulfanylazanium
PubChem CID143973159
Molecular FormulaC8H18NS+
Molecular Weight160.31 g/mol
Exact Mass160.12
IUPAC Namecyclohexyl-dimethyl-sulfanylazanium
SMILESC[N+](C)(S)C1CCCCC1
InChIInChI=1S/C8H18NS/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3/q+1
InChIKeyVTUYXLSQOFIFQD-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 52.24
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

cyclodecyl(trimethyl)azanium chloride
CID 134900881
cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclohexylmethyl-dimethyl-sulfanylazanium
CID 143834523
cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
tetra(cyclodecyl)azanium bromide
CID 139704805
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
cyclohexyl-(difluoromethyl)-dimethylazanium iodide
CID 24750838
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium nitrate
CID 15953491
cyclohexyl-hydroxy-dimethylazanium perchlorate
CID 16726157
cyclopentyl-diethyl-methylazanium
CID 153152970

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-sulfanylazanium?
The IUPAC name of cyclohexyl-dimethyl-sulfanylazanium (CID 143973159) is cyclohexyl-dimethyl-sulfanylazanium.
What is the SMILES notation for cyclohexyl-dimethyl-sulfanylazanium?
The canonical SMILES for cyclohexyl-dimethyl-sulfanylazanium is C[N+](C)(S)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-sulfanylazanium?
The InChIKey is VTUYXLSQOFIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NS/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3/q+1.
What are the key properties of cyclohexyl-dimethyl-sulfanylazanium?
cyclohexyl-dimethyl-sulfanylazanium has a molecular weight of 160.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-sulfanylazanium is sourced from PubChem (CID 143973159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).