3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide

C7H15NO3S3 — CID 58340951

IUPAC3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide
SMILES[3H]SOSSCCNC(=O)CCOCC
InChIInChI=1S/C7H15NO3S3/c1-2-10-5-3-7(9)8-4-6-13-14-11-12/h12H,2-6H2,1H3,(H,8,9)/i/hT
InChIKeyBLIUYVSSRPAPCE-MNYXATJNSA-N
MW259.41 g/mol
LogP1.69
Rot. Bonds10

About 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide

3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide (PubChem CID 58340951) has the molecular formula C7H15NO3S3 and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide
PubChem CID58340951
Molecular FormulaC7H15NO3S3
Molecular Weight259.41 g/mol
Exact Mass259.03
IUPAC Name3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide
SMILES[3H]SOSSCCNC(=O)CCOCC
InChIInChI=1S/C7H15NO3S3/c1-2-10-5-3-7(9)8-4-6-13-14-11-12/h12H,2-6H2,1H3,(H,8,9)/i/hT
InChIKeyBLIUYVSSRPAPCE-MNYXATJNSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
3-ethoxy-N-ethylpropanamide
CID 58030283
3-ethoxy-N-pent-3-ynylpropanamide
CID 115977143
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide?
The IUPAC name of 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide (CID 58340951) is 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide is [3H]SOSSCCNC(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide?
The InChIKey is BLIUYVSSRPAPCE-MNYXATJNSA-N. The full InChI is InChI=1S/C7H15NO3S3/c1-2-10-5-3-7(9)8-4-6-13-14-11-12/h12H,2-6H2,1H3,(H,8,9)/i/hT.
What are the key properties of 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide?
3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide has a molecular weight of 259.41 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(tritiosulfanyloxydisulfanyl)ethyl]propanamide is sourced from PubChem (CID 58340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).