N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide

C10H15NO2S2 — CID 87816295

IUPACN-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCSSCC)C(=O)C=C
InChIInChI=1S/C10H15NO2S2/c1-4-9(12)11(10(13)5-2)7-8-15-14-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeySJJDJNFJKZJXMH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide

N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide (PubChem CID 87816295) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide
PubChem CID87816295
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCSSCC)C(=O)C=C
InChIInChI=1S/C10H15NO2S2/c1-4-9(12)11(10(13)5-2)7-8-15-14-6-3/h4-5H,1-2,6-8H2,3H3
InChIKeySJJDJNFJKZJXMH-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide (CID 87816295) is N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCSSCC)C(=O)C=C.
What is the InChIKey of N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide?
The InChIKey is SJJDJNFJKZJXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-4-9(12)11(10(13)5-2)7-8-15-14-6-3/h4-5H,1-2,6-8H2,3H3.
What are the key properties of N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide?
N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethyldisulfanyl)ethyl]-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 87816295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).