N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide

C7H16N2OS2 — CID 87109583

IUPACN-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
SMILESCNCCSSCCNC(C)=O
InChIInChI=1S/C7H16N2OS2/c1-7(10)9-4-6-12-11-5-3-8-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyBURCTAAYPVZAAM-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.72
Rot. Bonds7

About N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide

N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide (PubChem CID 87109583) has the molecular formula C7H16N2OS2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
PubChem CID87109583
Molecular FormulaC7H16N2OS2
Molecular Weight208.35 g/mol
Exact Mass208.07
IUPAC NameN-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
SMILESCNCCSSCCNC(C)=O
InChIInChI=1S/C7H16N2OS2/c1-7(10)9-4-6-12-11-5-3-8-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyBURCTAAYPVZAAM-UHFFFAOYSA-N
XLogP0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.72
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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Related Compounds

N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
CID 176611212
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
S-[2-(methylamino)ethyl] ethanethioate
CID 23093471
4-methyl-1-[2-(methylamino)ethyldisulfanyl]pentan-3-one
CID 162735305
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 146329372
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
N-[2-(2-oxobutyldisulfanyl)ethyl]acetamide;N-[2-[2-(3-oxopentoxy)ethyldisulfanyl]ethyl]acetamide
CID 158907695
potassium 2-acetamidoethylsulfanylmethanedithioate
CID 23682911
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
N-(4-methylsulfanylbutyl)acetamide
CID 115635829

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide (CID 87109583) is N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide is CNCCSSCCNC(C)=O.
What is the InChIKey of N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide?
The InChIKey is BURCTAAYPVZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS2/c1-7(10)9-4-6-12-11-5-3-8-2/h8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide?
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide has a molecular weight of 208.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 87109583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).