N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine

C4H13N3S2 — CID 89171602

IUPACN-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
SMILESSNCCNCCNS
InChIInChI=1S/C4H13N3S2/c8-6-3-1-5-2-4-7-9/h5-9H,1-4H2
InChIKeyGZAPIZRMZNPJRV-UHFFFAOYSA-N
MW167.30 g/mol
LogP-0.56
Rot. Bonds6

About N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine

N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine (PubChem CID 89171602) has the molecular formula C4H13N3S2 and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
PubChem CID89171602
Molecular FormulaC4H13N3S2
Molecular Weight167.30 g/mol
Exact Mass167.06
IUPAC NameN-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
SMILESSNCCNCCNS
InChIInChI=1S/C4H13N3S2/c8-6-3-1-5-2-4-7-9/h5-9H,1-4H2
InChIKeyGZAPIZRMZNPJRV-UHFFFAOYSA-N
XLogP-0.56
TPSA36.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 5-0.56
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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Related Compounds

Diethylenetriamine
CID 8111
N-Ethylethylenediamine
CID 66071
2,5-Diazaheptane
CID 67104
N-(2-aminoethyl)-N'-methylethylenediamine
CID 118593
Diethylenetriamine monohydrochloride
CID 23504002
N1-(2-ammonioethyl)ethane-1,2-diaminium
CID 5232301
2-Azaniumylethyl(ethyl)azanium
CID 6999060
Thiopiperazine
CID 18533336
2-((2-Aminoethyl)amino)ethan-1-aminium
CID 21063299
Diethylenetriamine hydrobromide
CID 22364538
N1-(2-aminoethyl)ethane-1,2-diaminium
CID 139591977
[2-(Ethylamino)ethyl-methylamino] thiohypofluorite
CID 126685184

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine?
The IUPAC name of N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine (CID 89171602) is N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine is SNCCNCCNS.
What is the InChIKey of N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine?
The InChIKey is GZAPIZRMZNPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S2/c8-6-3-1-5-2-4-7-9/h5-9H,1-4H2.
What are the key properties of N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine?
N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine has a molecular weight of 167.30 g/mol, XLogP of -0.56, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine is sourced from PubChem (CID 89171602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).