2-(2-aminoethylsulfanyl)ethyl-methanidylazanium

C5H14N2S — CID 21039752

IUPAC2-(2-aminoethylsulfanyl)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCSCCN
InChIInChI=1S/C5H14N2S/c1-7-3-5-8-4-2-6/h1-7H2
InChIKeyJRSTZWNRMSCFNX-UHFFFAOYSA-N
MW134.25 g/mol
LogP-0.97
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium

2-(2-aminoethylsulfanyl)ethyl-methanidylazanium (PubChem CID 21039752) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)ethyl-methanidylazanium
PubChem CID21039752
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name2-(2-aminoethylsulfanyl)ethyl-methanidylazanium
SMILES[CH2-][NH2+]CCSCCN
InChIInChI=1S/C5H14N2S/c1-7-3-5-8-4-2-6/h1-7H2
InChIKeyJRSTZWNRMSCFNX-UHFFFAOYSA-N
XLogP-0.97
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium?
The IUPAC name of 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium (CID 21039752) is 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium?
The canonical SMILES for 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium is [CH2-][NH2+]CCSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium?
The InChIKey is JRSTZWNRMSCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S/c1-7-3-5-8-4-2-6/h1-7H2.
What are the key properties of 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium?
2-(2-aminoethylsulfanyl)ethyl-methanidylazanium has a molecular weight of 134.25 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)ethyl-methanidylazanium is sourced from PubChem (CID 21039752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).