N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide

C10H19NO2S2 — CID 173331295

IUPACN-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide
SMILESCCCSSC=C(C)N(CCO)C(C)=O
InChIInChI=1S/C10H19NO2S2/c1-4-7-14-15-8-9(2)11(5-6-12)10(3)13/h8,12H,4-7H2,1-3H3
InChIKeyGUNVUICSFUSABG-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.48
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide

N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide (PubChem CID 173331295) has the molecular formula C10H19NO2S2 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide
PubChem CID173331295
Molecular FormulaC10H19NO2S2
Molecular Weight249.40 g/mol
Exact Mass249.09
IUPAC NameN-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide
SMILESCCCSSC=C(C)N(CCO)C(C)=O
InChIInChI=1S/C10H19NO2S2/c1-4-7-14-15-8-9(2)11(5-6-12)10(3)13/h8,12H,4-7H2,1-3H3
InChIKeyGUNVUICSFUSABG-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide (CID 173331295) is N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide is CCCSSC=C(C)N(CCO)C(C)=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide?
The InChIKey is GUNVUICSFUSABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S2/c1-4-7-14-15-8-9(2)11(5-6-12)10(3)13/h8,12H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide?
N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide has a molecular weight of 249.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 173331295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).