3-[2-(2-methoxyethoxy)ethoxy]propanethioamide

C8H17NO3S — CID 104561947

IUPAC3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
SMILESCOCCOCCOCCC(N)=S
InChIInChI=1S/C8H17NO3S/c1-10-4-5-12-7-6-11-3-2-8(9)13/h2-7H2,1H3,(H2,9,13)
InChIKeyTVKGNWLDOYYFLY-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.34
Rot. Bonds9

About 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide

3-[2-(2-methoxyethoxy)ethoxy]propanethioamide (PubChem CID 104561947) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
PubChem CID104561947
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
SMILESCOCCOCCOCCC(N)=S
InChIInChI=1S/C8H17NO3S/c1-10-4-5-12-7-6-11-3-2-8(9)13/h2-7H2,1H3,(H2,9,13)
InChIKeyTVKGNWLDOYYFLY-UHFFFAOYSA-N
XLogP0.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide 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

4-(2-methoxyethoxy)butanethioamide
CID 24699894
3-propoxypropanethioamide
CID 43248084
4-(3-methoxypropoxy)butanethioamide
CID 60917615
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
methane;4-(2-methoxyethoxy)-2-oxobutanamide
CID 159898844
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
3-hexoxypropanethioamide
CID 29002450

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide (CID 104561947) is 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide is COCCOCCOCCC(N)=S.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide?
The InChIKey is TVKGNWLDOYYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-10-4-5-12-7-6-11-3-2-8(9)13/h2-7H2,1H3,(H2,9,13).
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide?
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide has a molecular weight of 207.29 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]propanethioamide is sourced from PubChem (CID 104561947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).