2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine

C8H20N2S2 — CID 28485

IUPAC2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSSCCN(C)C
InChIInChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3
InChIKeyBAEWLQWSDPXZDM-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.49
Rot. Bonds7

About 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine

2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine (PubChem CID 28485) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine
PubChem CID28485
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC Name2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSSCCN(C)C
InChIInChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3
InChIKeyBAEWLQWSDPXZDM-UHFFFAOYSA-N
XLogP1.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
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,N-dimethylethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine (CID 28485) is 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine is CN(C)CCSSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine?
The InChIKey is BAEWLQWSDPXZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine?
2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine has a molecular weight of 208.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 28485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).