4-(3-methoxypropoxy)butanethioamide

C8H17NO2S — CID 60917615

IUPAC4-(3-methoxypropoxy)butanethioamide
SMILESCOCCCOCCCC(N)=S
InChIInChI=1S/C8H17NO2S/c1-10-5-3-7-11-6-2-4-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyBEDFZRCWXVFJAW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.11
Rot. Bonds8

About 4-(3-methoxypropoxy)butanethioamide

4-(3-methoxypropoxy)butanethioamide (PubChem CID 60917615) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)butanethioamide.

Molecular Properties

Compound Name4-(3-methoxypropoxy)butanethioamide
PubChem CID60917615
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-(3-methoxypropoxy)butanethioamide
SMILESCOCCCOCCCC(N)=S
InChIInChI=1S/C8H17NO2S/c1-10-5-3-7-11-6-2-4-8(9)12/h2-7H2,1H3,(H2,9,12)
InChIKeyBEDFZRCWXVFJAW-UHFFFAOYSA-N
XLogP1.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.11
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-(2-methoxyethoxy)butanethioamide
CID 24699894
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
5-(3-methoxypropoxy)pentanamide
CID 135179275
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
4-(3-methoxypropoxy)butanoic acid
CID 60918159
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
4-methoxybutanamide
CID 22414177

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)butanethioamide?
The IUPAC name of 4-(3-methoxypropoxy)butanethioamide (CID 60917615) is 4-(3-methoxypropoxy)butanethioamide.
What is the SMILES notation for 4-(3-methoxypropoxy)butanethioamide?
The canonical SMILES for 4-(3-methoxypropoxy)butanethioamide is COCCCOCCCC(N)=S.
What is the InChIKey of 4-(3-methoxypropoxy)butanethioamide?
The InChIKey is BEDFZRCWXVFJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-10-5-3-7-11-6-2-4-8(9)12/h2-7H2,1H3,(H2,9,12).
What are the key properties of 4-(3-methoxypropoxy)butanethioamide?
4-(3-methoxypropoxy)butanethioamide has a molecular weight of 191.30 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)butanethioamide is sourced from PubChem (CID 60917615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).