2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate

C7H13NO4S2 — CID 153365788

IUPAC2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
SMILESCC(=O)OCCSSCCOC(N)=O
InChIInChI=1S/C7H13NO4S2/c1-6(9)11-2-4-13-14-5-3-12-7(8)10/h2-5H2,1H3,(H2,8,10)
InChIKeyBTFBPPODEHYKDK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds7

About 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate

2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate (PubChem CID 153365788) has the molecular formula C7H13NO4S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate.

Molecular Properties

Compound Name2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
PubChem CID153365788
Molecular FormulaC7H13NO4S2
Molecular Weight239.32 g/mol
Exact Mass239.03
IUPAC Name2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate
SMILESCC(=O)OCCSSCCOC(N)=O
InChIInChI=1S/C7H13NO4S2/c1-6(9)11-2-4-13-14-5-3-12-7(8)10/h2-5H2,1H3,(H2,8,10)
InChIKeyBTFBPPODEHYKDK-UHFFFAOYSA-N
XLogP1.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate?
The IUPAC name of 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate (CID 153365788) is 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate.
What is the SMILES notation for 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate?
The canonical SMILES for 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate is CC(=O)OCCSSCCOC(N)=O.
What is the InChIKey of 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate?
The InChIKey is BTFBPPODEHYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S2/c1-6(9)11-2-4-13-14-5-3-12-7(8)10/h2-5H2,1H3,(H2,8,10).
What are the key properties of 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate?
2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate has a molecular weight of 239.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyloxyethyldisulfanyl)ethyl acetate is sourced from PubChem (CID 153365788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).