3-ethoxysulfanyl-N-methylpropanamide

C6H13NO2S — CID 175326328

IUPAC3-ethoxysulfanyl-N-methylpropanamide
SMILESCCOSCCC(=O)NC
InChIInChI=1S/C6H13NO2S/c1-3-9-10-5-4-6(8)7-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyOONPLNNKVMLGMI-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.81
Rot. Bonds5

About 3-ethoxysulfanyl-N-methylpropanamide

3-ethoxysulfanyl-N-methylpropanamide (PubChem CID 175326328) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-ethoxysulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name3-ethoxysulfanyl-N-methylpropanamide
PubChem CID175326328
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-ethoxysulfanyl-N-methylpropanamide
SMILESCCOSCCC(=O)NC
InChIInChI=1S/C6H13NO2S/c1-3-9-10-5-4-6(8)7-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyOONPLNNKVMLGMI-UHFFFAOYSA-N
XLogP0.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
N-methyl-3-phosphanylsulfanylpropanamide
CID 123504025
ethane;3-methoxy-N-methylpropanamide
CID 178014406
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
CID 87376124
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
N,N'-dimethylheptanediamide
CID 15166696
[[2-[3-(methylamino)-3-oxopropyl]sulfanylacetyl]amino]iodanium
CID 146747636
N',N'-diethyl-N-methylbutanediamide
CID 177056307
N-hydroxy-3-methoxysulfanylpropanamide
CID 134597099
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysulfanyl-N-methylpropanamide?
The IUPAC name of 3-ethoxysulfanyl-N-methylpropanamide (CID 175326328) is 3-ethoxysulfanyl-N-methylpropanamide.
What is the SMILES notation for 3-ethoxysulfanyl-N-methylpropanamide?
The canonical SMILES for 3-ethoxysulfanyl-N-methylpropanamide is CCOSCCC(=O)NC.
What is the InChIKey of 3-ethoxysulfanyl-N-methylpropanamide?
The InChIKey is OONPLNNKVMLGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-9-10-5-4-6(8)7-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of 3-ethoxysulfanyl-N-methylpropanamide?
3-ethoxysulfanyl-N-methylpropanamide has a molecular weight of 163.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysulfanyl-N-methylpropanamide is sourced from PubChem (CID 175326328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).