N-ethyl-2-(methyldisulfanyl)ethanamine

C5H13NS2 — CID 130957742

IUPACN-ethyl-2-(methyldisulfanyl)ethanamine
SMILESCCNCCSSC
InChIInChI=1S/C5H13NS2/c1-3-6-4-5-8-7-2/h6H,3-5H2,1-2H3
InChIKeyZZZSZQWUQUVPFA-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.61
Rot. Bonds5

About N-ethyl-2-(methyldisulfanyl)ethanamine

N-ethyl-2-(methyldisulfanyl)ethanamine (PubChem CID 130957742) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is N-ethyl-2-(methyldisulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(methyldisulfanyl)ethanamine
PubChem CID130957742
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC NameN-ethyl-2-(methyldisulfanyl)ethanamine
SMILESCCNCCSSC
InChIInChI=1S/C5H13NS2/c1-3-6-4-5-8-7-2/h6H,3-5H2,1-2H3
InChIKeyZZZSZQWUQUVPFA-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-2-(methyldisulfanyl)ethanamine?
The IUPAC name of N-ethyl-2-(methyldisulfanyl)ethanamine (CID 130957742) is N-ethyl-2-(methyldisulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(methyldisulfanyl)ethanamine?
The canonical SMILES for N-ethyl-2-(methyldisulfanyl)ethanamine is CCNCCSSC.
What is the InChIKey of N-ethyl-2-(methyldisulfanyl)ethanamine?
The InChIKey is ZZZSZQWUQUVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-3-6-4-5-8-7-2/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-(methyldisulfanyl)ethanamine?
N-ethyl-2-(methyldisulfanyl)ethanamine has a molecular weight of 151.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methyldisulfanyl)ethanamine is sourced from PubChem (CID 130957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).