2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium

C8H22N2S2+2 — CID 86308380

IUPAC2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium
SMILESC[NH+](C)CCSSCC[NH+](C)C
InChIInChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3/p+2
InChIKeyBAEWLQWSDPXZDM-UHFFFAOYSA-P
MW210.41 g/mol
LogP-1.34
Rot. Bonds7

About 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium

2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium (PubChem CID 86308380) has the molecular formula C8H22N2S2+2 and a molecular weight of 210.41 g/mol. Its IUPAC name is 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium
PubChem CID86308380
Molecular FormulaC8H22N2S2+2
Molecular Weight210.41 g/mol
Exact Mass210.12
IUPAC Name2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium
SMILESC[NH+](C)CCSSCC[NH+](C)C
InChIInChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3/p+2
InChIKeyBAEWLQWSDPXZDM-UHFFFAOYSA-P
XLogP-1.34
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.41
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride
CID 28484
Ethanamine, 2,2'-dithiobis(N-methyl-
CID 145763
2-{[2-(Diethylamino)ethyl]amino}ethane-1-thiol
CID 15889018
2-[2-(Methylamino)ethyldisulfanyl]ethanamine
CID 424085
2-[2-(Methylamino)ethyldisulfanyl]ethanamine;hydrochloride
CID 24193956
2,2'-Disulfanediylbis(N-methylethan-1-amine) dihydrochloride
CID 12574417
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
N-ethylethanamine;(ethyltrisulfanyl)ethane
CID 18521155
2-[2-(Dimethylamino)ethylsulfanylamino]ethanethiol
CID 19844045
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
CID 21477406
(ethyldisulfanyl)ethane;N-ethylethanamine
CID 22328288

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium?
The IUPAC name of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium (CID 86308380) is 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium?
The canonical SMILES for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium is C[NH+](C)CCSSCC[NH+](C)C.
What is the InChIKey of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium?
The InChIKey is BAEWLQWSDPXZDM-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3/p+2.
What are the key properties of 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium?
2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium has a molecular weight of 210.41 g/mol, XLogP of -1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylazaniumyl)ethyldisulfanyl]ethyl-dimethylazanium is sourced from PubChem (CID 86308380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).