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

C10H22N2OS2 — CID 52911769

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCSSCCN
InChIInChI=1S/C10H22N2OS2/c1-2-3-4-5-10(13)12-7-9-15-14-8-6-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyQAQHRJMPDNAVLF-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.02
Rot. Bonds10

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

N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide (PubChem CID 52911769) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide
PubChem CID52911769
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCSSCCN
InChIInChI=1S/C10H22N2OS2/c1-2-3-4-5-10(13)12-7-9-15-14-8-6-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyQAQHRJMPDNAVLF-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.02
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]hexanamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide (CID 52911769) is N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide is CCCCCC(=O)NCCSSCCN.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide?
The InChIKey is QAQHRJMPDNAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-2-3-4-5-10(13)12-7-9-15-14-8-6-11/h2-9,11H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]hexanamide has a molecular weight of 250.43 g/mol, XLogP of 2.02, 10 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]hexanamide is sourced from PubChem (CID 52911769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).