4-(2-methoxyethoxy)butanethioamide

C7H15NO2S — CID 24699894

IUPAC4-(2-methoxyethoxy)butanethioamide
SMILESCOCCOCCCC(N)=S
InChIInChI=1S/C7H15NO2S/c1-9-5-6-10-4-2-3-7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKeyKNQDDUMKDPAIEW-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.72
Rot. Bonds7

About 4-(2-methoxyethoxy)butanethioamide

4-(2-methoxyethoxy)butanethioamide (PubChem CID 24699894) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)butanethioamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)butanethioamide
PubChem CID24699894
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-(2-methoxyethoxy)butanethioamide
SMILESCOCCOCCCC(N)=S
InChIInChI=1S/C7H15NO2S/c1-9-5-6-10-4-2-3-7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKeyKNQDDUMKDPAIEW-UHFFFAOYSA-N
XLogP0.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropoxy)butanethioamide
CID 60917615
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
1,8-bis(2-methoxyethoxy)octane
CID 143118909
5-(3-methoxypropoxy)pentanamide
CID 135179275
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)butanethioamide?
The IUPAC name of 4-(2-methoxyethoxy)butanethioamide (CID 24699894) is 4-(2-methoxyethoxy)butanethioamide.
What is the SMILES notation for 4-(2-methoxyethoxy)butanethioamide?
The canonical SMILES for 4-(2-methoxyethoxy)butanethioamide is COCCOCCCC(N)=S.
What is the InChIKey of 4-(2-methoxyethoxy)butanethioamide?
The InChIKey is KNQDDUMKDPAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-9-5-6-10-4-2-3-7(8)11/h2-6H2,1H3,(H2,8,11).
What are the key properties of 4-(2-methoxyethoxy)butanethioamide?
4-(2-methoxyethoxy)butanethioamide has a molecular weight of 177.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)butanethioamide is sourced from PubChem (CID 24699894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).