2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine

C10H24N2S2 — CID 20538545

IUPAC2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine
SMILESCCSCCCCCCSCC(N)N
InChIInChI=1S/C10H24N2S2/c1-2-13-7-5-3-4-6-8-14-9-10(11)12/h10H,2-9,11-12H2,1H3
InChIKeyGEHPKMJTANMXOQ-UHFFFAOYSA-N
MW236.45 g/mol
LogP2.28
Rot. Bonds10

About 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine

2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine (PubChem CID 20538545) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine.

Molecular Properties

Compound Name2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine
PubChem CID20538545
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC Name2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine
SMILESCCSCCCCCCSCC(N)N
InChIInChI=1S/C10H24N2S2/c1-2-13-7-5-3-4-6-8-14-9-10(11)12/h10H,2-9,11-12H2,1H3
InChIKeyGEHPKMJTANMXOQ-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-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 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine?
The IUPAC name of 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine (CID 20538545) is 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine.
What is the SMILES notation for 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine?
The canonical SMILES for 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine is CCSCCCCCCSCC(N)N.
What is the InChIKey of 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine?
The InChIKey is GEHPKMJTANMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-2-13-7-5-3-4-6-8-14-9-10(11)12/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine?
2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine has a molecular weight of 236.45 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine is sourced from PubChem (CID 20538545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).