N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide

C11H16N2O2S2 — CID 59937202

IUPACN-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
SMILESCCOCNC(=O)CCSSc1ccccn1
InChIInChI=1S/C11H16N2O2S2/c1-2-15-9-13-10(14)6-8-16-17-11-5-3-4-7-12-11/h3-5,7H,2,6,8-9H2,1H3,(H,13,14)
InChIKeyGQDNXHVIKQLXEZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds8

About N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide

N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide (PubChem CID 59937202) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
PubChem CID59937202
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
SMILESCCOCNC(=O)CCSSc1ccccn1
InChIInChI=1S/C11H16N2O2S2/c1-2-15-9-13-10(14)6-8-16-17-11-5-3-4-7-12-11/h3-5,7H,2,6,8-9H2,1H3,(H,13,14)
InChIKeyGQDNXHVIKQLXEZ-UHFFFAOYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
methyl 4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanoate
CID 129092686
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
N-(7-hydroxyheptyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59027440
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[2-(pyridin-2-yldisulfanyl)ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118988570
N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 58435587
N-(8-methoxy-3,3,6,6-tetramethyloctyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 123332520
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide
CID 118072306
N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 121265091
N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
CID 129099202

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The IUPAC name of N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide (CID 59937202) is N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide.
What is the SMILES notation for N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The canonical SMILES for N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide is CCOCNC(=O)CCSSc1ccccn1.
What is the InChIKey of N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The InChIKey is GQDNXHVIKQLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-2-15-9-13-10(14)6-8-16-17-11-5-3-4-7-12-11/h3-5,7H,2,6,8-9H2,1H3,(H,13,14).
What are the key properties of N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide is sourced from PubChem (CID 59937202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).