8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane

C16H28N2S2 — CID 140763000

IUPAC8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(SSC1CC3CCC(C1)N3C)C2
InChIInChI=1S/C16H28N2S2/c1-17-11-3-4-12(17)8-15(7-11)19-20-16-9-13-5-6-14(10-16)18(13)2/h11-16H,3-10H2,1-2H3
InChIKeyGSXCFMXCDXBHPH-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.62
Rot. Bonds3

About 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane

8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane (PubChem CID 140763000) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane
PubChem CID140763000
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(SSC1CC3CCC(C1)N3C)C2
InChIInChI=1S/C16H28N2S2/c1-17-11-3-4-12(17)8-15(7-11)19-20-16-9-13-5-6-14(10-16)18(13)2/h11-16H,3-10H2,1-2H3
InChIKeyGSXCFMXCDXBHPH-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane (CID 140763000) is 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(SSC1CC3CCC(C1)N3C)C2.
What is the InChIKey of 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is GSXCFMXCDXBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-17-11-3-4-12(17)8-15(7-11)19-20-16-9-13-5-6-14(10-16)18(13)2/h11-16H,3-10H2,1-2H3.
What are the key properties of 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane?
8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 312.55 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 140763000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).