N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine

C6H17N3S — CID 10130122

IUPACN'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCSCCN
InChIInChI=1S/C6H17N3S/c7-1-3-9-4-6-10-5-2-8/h9H,1-8H2
InChIKeyGMEYOVDUFLBZLP-UHFFFAOYSA-N
MW163.29 g/mol
LogP-0.77
Rot. Bonds7

About N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine

N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine (PubChem CID 10130122) has the molecular formula C6H17N3S and a molecular weight of 163.29 g/mol. Its IUPAC name is N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine
PubChem CID10130122
Molecular FormulaC6H17N3S
Molecular Weight163.29 g/mol
Exact Mass163.11
IUPAC NameN'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCSCCN
InChIInChI=1S/C6H17N3S/c7-1-3-9-4-6-10-5-2-8/h9H,1-8H2
InChIKeyGMEYOVDUFLBZLP-UHFFFAOYSA-N
XLogP-0.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine 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 N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine (CID 10130122) is N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine is NCCNCCSCCN.
What is the InChIKey of N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine?
The InChIKey is GMEYOVDUFLBZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3S/c7-1-3-9-4-6-10-5-2-8/h9H,1-8H2.
What are the key properties of N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine?
N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine has a molecular weight of 163.29 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylsulfanyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10130122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).