N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide

C12H26N2OS2 — CID 52911770

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCSSCCN
InChIInChI=1S/C12H26N2OS2/c1-2-3-4-5-6-7-12(15)14-9-11-17-16-10-8-13/h2-11,13H2,1H3,(H,14,15)
InChIKeyLSRNPQVXHRWNJI-UHFFFAOYSA-N
MW278.49 g/mol
LogP2.80
Rot. Bonds12

About N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide

N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide (PubChem CID 52911770) has the molecular formula C12H26N2OS2 and a molecular weight of 278.49 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]octanamide
PubChem CID52911770
Molecular FormulaC12H26N2OS2
Molecular Weight278.49 g/mol
Exact Mass278.15
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCSSCCN
InChIInChI=1S/C12H26N2OS2/c1-2-3-4-5-6-7-12(15)14-9-11-17-16-10-8-13/h2-11,13H2,1H3,(H,14,15)
InChIKeyLSRNPQVXHRWNJI-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 52.80
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-aminoethyldisulfanyl)ethyl]octanamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide (CID 52911770) is N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide is CCCCCCCC(=O)NCCSSCCN.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide?
The InChIKey is LSRNPQVXHRWNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS2/c1-2-3-4-5-6-7-12(15)14-9-11-17-16-10-8-13/h2-11,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide has a molecular weight of 278.49 g/mol, XLogP of 2.80, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]octanamide is sourced from PubChem (CID 52911770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).