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

C6H14N2OS2 — CID 18381305

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCN
InChIInChI=1S/C6H14N2OS2/c1-6(9)8-3-5-11-10-4-2-7/h2-5,7H2,1H3,(H,8,9)
InChIKeySDYVWPDOURNSRC-UHFFFAOYSA-N
MW194.32 g/mol
LogP0.46
Rot. Bonds6

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

N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide (PubChem CID 18381305) has the molecular formula C6H14N2OS2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
PubChem CID18381305
Molecular FormulaC6H14N2OS2
Molecular Weight194.32 g/mol
Exact Mass194.05
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSSCCN
InChIInChI=1S/C6H14N2OS2/c1-6(9)8-3-5-11-10-4-2-7/h2-5,7H2,1H3,(H,8,9)
InChIKeySDYVWPDOURNSRC-UHFFFAOYSA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 50.46
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]acetamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide (CID 18381305) is N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide is CC(=O)NCCSSCCN.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
The InChIKey is SDYVWPDOURNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS2/c1-6(9)8-3-5-11-10-4-2-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide has a molecular weight of 194.32 g/mol, XLogP of 0.46, 6 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]acetamide is sourced from PubChem (CID 18381305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).