ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C11H21NO2S2 — CID 87182344

IUPACethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOC(=S)S.CN1C2CCC1CC(O)C2
InChIInChI=1S/C8H15NO.C3H6OS2/c1-9-6-2-3-7(9)5-8(10)4-6;1-2-4-3(5)6/h6-8,10H,2-5H2,1H3;2H2,1H3,(H,5,6)
InChIKeyICZFIYGBVMZLFQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.84
Rot. Bonds1

About ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol

ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 87182344) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Nameethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID87182344
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC Nameethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOC(=S)S.CN1C2CCC1CC(O)C2
InChIInChI=1S/C8H15NO.C3H6OS2/c1-9-6-2-3-7(9)5-8(10)4-6;1-2-4-3(5)6/h6-8,10H,2-5H2,1H3;2H2,1H3,(H,5,6)
InChIKeyICZFIYGBVMZLFQ-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-1-tritio-8-azabicyclo[3.2.1]octan-3-ol
CID 91135620
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
ethyl (3S)-3-[(1R,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 98113502
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
2-methylpropyl (5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166764569
2-ethyl-1-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 134454435
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 112680768
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 63763771
ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73110477

Frequently Asked Questions

What is the IUPAC name of ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 87182344) is ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CCOC(=S)S.CN1C2CCC1CC(O)C2.
What is the InChIKey of ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ICZFIYGBVMZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C3H6OS2/c1-9-6-2-3-7(9)5-8(10)4-6;1-2-4-3(5)6/h6-8,10H,2-5H2,1H3;2H2,1H3,(H,5,6).
What are the key properties of ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 263.43 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 87182344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).