2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine

C8H19NS2 — CID 11830297

IUPAC2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine
SMILESCCSCCNCCSCC
InChIInChI=1S/C8H19NS2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3
InChIKeyLAEJGODWIYHHDW-UHFFFAOYSA-N
MW193.38 g/mol
LogP2.08
Rot. Bonds8

About 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine

2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine (PubChem CID 11830297) has the molecular formula C8H19NS2 and a molecular weight of 193.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine
PubChem CID11830297
Molecular FormulaC8H19NS2
Molecular Weight193.38 g/mol
Exact Mass193.10
IUPAC Name2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine
SMILESCCSCCNCCSCC
InChIInChI=1S/C8H19NS2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3
InChIKeyLAEJGODWIYHHDW-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine (CID 11830297) is 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine is CCSCCNCCSCC.
What is the InChIKey of 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine?
The InChIKey is LAEJGODWIYHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine?
2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine has a molecular weight of 193.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine is sourced from PubChem (CID 11830297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).