2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol

C8H22N4S — CID 20551174

IUPAC2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol
SMILESNCCNCCNCCNCCS
InChIInChI=1S/C8H22N4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h10-13H,1-9H2
InChIKeyVPSWWVOGUGXCED-UHFFFAOYSA-N
MW206.36 g/mol
LogP-1.36
Rot. Bonds10

About 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol

2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol (PubChem CID 20551174) has the molecular formula C8H22N4S and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol
PubChem CID20551174
Molecular FormulaC8H22N4S
Molecular Weight206.36 g/mol
Exact Mass206.16
IUPAC Name2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol
SMILESNCCNCCNCCNCCS
InChIInChI=1S/C8H22N4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h10-13H,1-9H2
InChIKeyVPSWWVOGUGXCED-UHFFFAOYSA-N
XLogP-1.36
TPSA62.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol (CID 20551174) is 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol is NCCNCCNCCNCCS.
What is the InChIKey of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol?
The InChIKey is VPSWWVOGUGXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h10-13H,1-9H2.
What are the key properties of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol?
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol has a molecular weight of 206.36 g/mol, XLogP of -1.36, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethanethiol is sourced from PubChem (CID 20551174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).