N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline

C16H20N2S2 — CID 25130926

IUPACN-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
SMILESc1ccc(NCCSSCCNc2ccccc2)cc1
InChIInChI=1S/C16H20N2S2/c1-3-7-15(8-4-1)17-11-13-19-20-14-12-18-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyIDHBIQORCZPTJN-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.59
Rot. Bonds9

About N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline

N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline (PubChem CID 25130926) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
PubChem CID25130926
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC NameN-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
SMILESc1ccc(NCCSSCCNc2ccccc2)cc1
InChIInChI=1S/C16H20N2S2/c1-3-7-15(8-4-1)17-11-13-19-20-14-12-18-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyIDHBIQORCZPTJN-UHFFFAOYSA-N
XLogP4.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline?
The IUPAC name of N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline (CID 25130926) is N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline.
What is the SMILES notation for N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline?
The canonical SMILES for N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline is c1ccc(NCCSSCCNc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline?
The InChIKey is IDHBIQORCZPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-3-7-15(8-4-1)17-11-13-19-20-14-12-18-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline?
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline has a molecular weight of 304.48 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline is sourced from PubChem (CID 25130926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).