N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine

C6H16N2S4 — CID 22961183

IUPACN-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
SMILESCSCSNCCNCSSC
InChIInChI=1S/C6H16N2S4/c1-9-6-11-8-4-3-7-5-12-10-2/h7-8H,3-6H2,1-2H3
InChIKeyIPYLYCGJDWRJOU-UHFFFAOYSA-N
MW244.48 g/mol
LogP2.10
Rot. Bonds9

About N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine

N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine (PubChem CID 22961183) has the molecular formula C6H16N2S4 and a molecular weight of 244.48 g/mol. Its IUPAC name is N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
PubChem CID22961183
Molecular FormulaC6H16N2S4
Molecular Weight244.48 g/mol
Exact Mass244.02
IUPAC NameN-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
SMILESCSCSNCCNCSSC
InChIInChI=1S/C6H16N2S4/c1-9-6-11-8-4-3-7-5-12-10-2/h7-8H,3-6H2,1-2H3
InChIKeyIPYLYCGJDWRJOU-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine?
The IUPAC name of N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine (CID 22961183) is N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine?
The canonical SMILES for N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine is CSCSNCCNCSSC.
What is the InChIKey of N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine?
The InChIKey is IPYLYCGJDWRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S4/c1-9-6-11-8-4-3-7-5-12-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine?
N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine has a molecular weight of 244.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine is sourced from PubChem (CID 22961183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).