2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine

C7H18N2S2 — CID 121478650

IUPAC2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine
SMILESCNCCSSCCN(C)C
InChIInChI=1S/C7H18N2S2/c1-8-4-6-10-11-7-5-9(2)3/h8H,4-7H2,1-3H3
InChIKeyZBFMVWUABIWWPD-UHFFFAOYSA-N
MW194.37 g/mol
LogP1.15
Rot. Bonds7

About 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine

2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine (PubChem CID 121478650) has the molecular formula C7H18N2S2 and a molecular weight of 194.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine
PubChem CID121478650
Molecular FormulaC7H18N2S2
Molecular Weight194.37 g/mol
Exact Mass194.09
IUPAC Name2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine
SMILESCNCCSSCCN(C)C
InChIInChI=1S/C7H18N2S2/c1-8-4-6-10-11-7-5-9(2)3/h8H,4-7H2,1-3H3
InChIKeyZBFMVWUABIWWPD-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine (CID 121478650) is 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine is CNCCSSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine?
The InChIKey is ZBFMVWUABIWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S2/c1-8-4-6-10-11-7-5-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine?
2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine has a molecular weight of 194.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyldisulfanyl]-N-methylethanamine is sourced from PubChem (CID 121478650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).