N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride

C6H18Cl2N2S2 — CID 12574417

IUPACN-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride
SMILESCNCCSSCCNC.Cl.Cl
InChIInChI=1S/C6H16N2S2.2ClH/c1-7-3-5-9-10-6-4-8-2;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeyLYRSIEMRTAOQCU-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.65
Rot. Bonds7

About N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride

N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride (PubChem CID 12574417) has the molecular formula C6H18Cl2N2S2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride
PubChem CID12574417
Molecular FormulaC6H18Cl2N2S2
Molecular Weight253.26 g/mol
Exact Mass252.03
IUPAC NameN-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride
SMILESCNCCSSCCNC.Cl.Cl
InChIInChI=1S/C6H16N2S2.2ClH/c1-7-3-5-9-10-6-4-8-2;;/h7-8H,3-6H2,1-2H3;2*1H
InChIKeyLYRSIEMRTAOQCU-UHFFFAOYSA-N
XLogP1.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride?
The IUPAC name of N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride (CID 12574417) is N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride is CNCCSSCCNC.Cl.Cl.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride?
The InChIKey is LYRSIEMRTAOQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2.2ClH/c1-7-3-5-9-10-6-4-8-2;;/h7-8H,3-6H2,1-2H3;2*1H.
What are the key properties of N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride?
N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride has a molecular weight of 253.26 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethyldisulfanyl]ethanamine;dihydrochloride is sourced from PubChem (CID 12574417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).