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

C8H16N2O2S2 — CID 19814954

IUPACN-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)N(CCSSCCN)C(C)=O
InChIInChI=1S/C8H16N2O2S2/c1-7(11)10(8(2)12)4-6-14-13-5-3-9/h3-6,9H2,1-2H3
InChIKeyPYDXXDURQUCNNT-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.72
Rot. Bonds6

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

N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide (PubChem CID 19814954) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
PubChem CID19814954
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC NameN-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide
SMILESCC(=O)N(CCSSCCN)C(C)=O
InChIInChI=1S/C8H16N2O2S2/c1-7(11)10(8(2)12)4-6-14-13-5-3-9/h3-6,9H2,1-2H3
InChIKeyPYDXXDURQUCNNT-UHFFFAOYSA-N
XLogP0.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,N'-(Dithiodiethylene)bisacetamide
CID 12526
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
N-{2-[(2-aminoethyl)disulfanyl]ethyl}acetamide
CID 18381305
N-ethyl-3-[[3-(ethylamino)-3-oxopropyl]disulfanyl]propanamide
CID 21822479
N-[2-[4-(2-acetamidoethyldisulfanyl)butyldisulfanyl]ethyl]acetamide
CID 334894
S-(2-acetamido-2-oxoethyl) N,N-diethylcarbamothioate
CID 20540303
3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide
CID 20813438
3-[[3-oxo-3-(propylamino)propyl]disulfanyl]-N-propylpropanamide
CID 21822481
2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
CID 23187652
N-[2-[2-[ethyl-(2-sulfanylacetyl)amino]ethyl-[2-[(2-sulfanylacetyl)amino]ethyl]amino]ethyl]-2-sulfanylacetamide
CID 23551106
3-[[3-(Dipropylamino)-3-oxopropyl]disulfanyl]propanamide
CID 57230276
N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide
CID 58960459

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
The IUPAC name of N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide (CID 19814954) is N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide is CC(=O)N(CCSSCCN)C(C)=O.
What is the InChIKey of N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
The InChIKey is PYDXXDURQUCNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-7(11)10(8(2)12)4-6-14-13-5-3-9/h3-6,9H2,1-2H3.
What are the key properties of N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide?
N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide has a molecular weight of 236.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(2-aminoethyldisulfanyl)ethyl]acetamide is sourced from PubChem (CID 19814954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).