N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine

C6H15NS3 — CID 129027516

IUPACN-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine
SMILESCNCCSSCCSC
InChIInChI=1S/C6H15NS3/c1-7-3-4-9-10-6-5-8-2/h7H,3-6H2,1-2H3
InChIKeyWYOBQQQCHGTOAE-UHFFFAOYSA-N
MW197.39 g/mol
LogP1.95
Rot. Bonds7

About N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine

N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine (PubChem CID 129027516) has the molecular formula C6H15NS3 and a molecular weight of 197.39 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine
PubChem CID129027516
Molecular FormulaC6H15NS3
Molecular Weight197.39 g/mol
Exact Mass197.04
IUPAC NameN-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine
SMILESCNCCSSCCSC
InChIInChI=1S/C6H15NS3/c1-7-3-4-9-10-6-5-8-2/h7H,3-6H2,1-2H3
InChIKeyWYOBQQQCHGTOAE-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.39
LogP ≤ 51.95
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 N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine (CID 129027516) is N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine is CNCCSSCCSC.
What is the InChIKey of N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine?
The InChIKey is WYOBQQQCHGTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS3/c1-7-3-4-9-10-6-5-8-2/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine?
N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine has a molecular weight of 197.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfanylethyldisulfanyl)ethanamine is sourced from PubChem (CID 129027516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).