2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium

C10H26N2S2+2 — CID 140672841

IUPAC2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium
SMILESC[NH+](C)CCCSSCC[N+](C)(C)C
InChIInChI=1S/C10H25N2S2/c1-11(2)7-6-9-13-14-10-8-12(3,4)5/h6-10H2,1-5H3/q+1/p+1
InChIKeyGPZIYEQIYDJASE-UHFFFAOYSA-O
MW238.47 g/mol
LogP0.61
Rot. Bonds8

About 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium

2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium (PubChem CID 140672841) has the molecular formula C10H26N2S2+2 and a molecular weight of 238.47 g/mol. Its IUPAC name is 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium
PubChem CID140672841
Molecular FormulaC10H26N2S2+2
Molecular Weight238.47 g/mol
Exact Mass238.15
IUPAC Name2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium
SMILESC[NH+](C)CCCSSCC[N+](C)(C)C
InChIInChI=1S/C10H25N2S2/c1-11(2)7-6-9-13-14-10-8-12(3,4)5/h6-10H2,1-5H3/q+1/p+1
InChIKeyGPZIYEQIYDJASE-UHFFFAOYSA-O
XLogP0.61
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-(3-aminopropylamino)ethyl)disulfide
CID 115059
Ethanamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride
CID 28484
Ethanamine, 2,2'-dithiobis(N-methyl-
CID 145763
2-{[3-(Diethylamino)propyl]amino}ethanethiol
CID 262971
1,2-Dithia-5,9-diazacycloundecane
CID 53686808
Aminopropylcystamine
CID 129709970
2,12-Dithio-5,9-diazatridecane
CID 129760667
N,N''-(Dithiodi-3,1-propanediyl)bis(N'-methyl-1,3-propanediamine)
CID 177312
Ethyl(2-{[2-(ethylamino)ethyl]disulfanyl}ethyl)amine
CID 15739298
Ethanethiol, 1-[bis(3-aminopropyl)amino]-
CID 19757883
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
1-(2-aminoethyldisulfanyl)-N,N,2-trimethylpropan-2-amine
CID 21477406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium?
The IUPAC name of 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium (CID 140672841) is 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium.
What is the SMILES notation for 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium?
The canonical SMILES for 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium is C[NH+](C)CCCSSCC[N+](C)(C)C.
What is the InChIKey of 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium?
The InChIKey is GPZIYEQIYDJASE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H25N2S2/c1-11(2)7-6-9-13-14-10-8-12(3,4)5/h6-10H2,1-5H3/q+1/p+1.
What are the key properties of 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium?
2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium has a molecular weight of 238.47 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium is sourced from PubChem (CID 140672841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).