N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine

C4H13N3S2 — CID 134458223

IUPACN'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
SMILESNCCN(CCN)SS
InChIInChI=1S/C4H13N3S2/c5-1-3-7(9-8)4-2-6/h8H,1-6H2
InChIKeyPPKQXSFYSWKZBO-UHFFFAOYSA-N
MW167.30 g/mol
LogP-0.30
Rot. Bonds5

About N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine (PubChem CID 134458223) has the molecular formula C4H13N3S2 and a molecular weight of 167.30 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
PubChem CID134458223
Molecular FormulaC4H13N3S2
Molecular Weight167.30 g/mol
Exact Mass167.06
IUPAC NameN'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine
SMILESNCCN(CCN)SS
InChIInChI=1S/C4H13N3S2/c5-1-3-7(9-8)4-2-6/h8H,1-6H2
InChIKeyPPKQXSFYSWKZBO-UHFFFAOYSA-N
XLogP-0.30
TPSA55.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N'-(trifluoro-lambda4-sulfanyl)ethane-1,2-diamine
CID 140202052
1-(Disulfanyl)piperazine
CID 21667494
N-(2-aminoethyl)-N-ethylthiohydroxylamine
CID 88508689
N-[2-[2-(sulfanylamino)ethylamino]ethyl]thiohydroxylamine
CID 89171602
2-(1,2,5-Thiadiazolidin-2-yl)ethanamine
CID 123308254
N-[2-(dimethylamino)ethyl]thiohydroxylamine
CID 123871095
N-methyl-N-[2-(methylamino)ethyl]thiohydroxylamine
CID 130196456
N-(disulfanyl)-N',N'-diethylethane-1,2-diamine
CID 138604629
N-[2-(ethylamino)ethyl]thiohydroxylamine
CID 142567023
[2-[2-(Iodosulfanylamino)ethylamino]ethylamino] thiohypoiodite
CID 142608740
[Bis[2-(iodosulfanylamino)ethyl]amino] thiohypoiodite
CID 145283394
[Bis(2-aminoethyl)amino] thiohypoiodite
CID 145616643

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine (CID 134458223) is N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine is NCCN(CCN)SS.
What is the InChIKey of N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine?
The InChIKey is PPKQXSFYSWKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S2/c5-1-3-7(9-8)4-2-6/h8H,1-6H2.
What are the key properties of N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine has a molecular weight of 167.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(disulfanyl)ethane-1,2-diamine is sourced from PubChem (CID 134458223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).