4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide

C11H19NO4S3 — CID 131716394

IUPAC4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide
SMILESCOCCOCOC(C)c1cc(S(N)(=O)=S)sc1C
InChIInChI=1S/C11H19NO4S3/c1-8(16-7-15-5-4-14-3)10-6-11(18-9(10)2)19(12,13)17/h6,8H,4-5,7H2,1-3H3,(H2,12,13,17)
InChIKeyQGJSQINHTVYPPB-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.73
Rot. Bonds8

About 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide

4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide (PubChem CID 131716394) has the molecular formula C11H19NO4S3 and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide.

Molecular Properties

Compound Name4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide
PubChem CID131716394
Molecular FormulaC11H19NO4S3
Molecular Weight325.48 g/mol
Exact Mass325.05
IUPAC Name4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide
SMILESCOCCOCOC(C)c1cc(S(N)(=O)=S)sc1C
InChIInChI=1S/C11H19NO4S3/c1-8(16-7-15-5-4-14-3)10-6-11(18-9(10)2)19(12,13)17/h6,8H,4-5,7H2,1-3H3,(H2,12,13,17)
InChIKeyQGJSQINHTVYPPB-UHFFFAOYSA-N
XLogP1.73
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide?
The IUPAC name of 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide (CID 131716394) is 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide.
What is the SMILES notation for 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide?
The canonical SMILES for 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide is COCCOCOC(C)c1cc(S(N)(=O)=S)sc1C.
What is the InChIKey of 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide?
The InChIKey is QGJSQINHTVYPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S3/c1-8(16-7-15-5-4-14-3)10-6-11(18-9(10)2)19(12,13)17/h6,8H,4-5,7H2,1-3H3,(H2,12,13,17).
What are the key properties of 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide?
4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide has a molecular weight of 325.48 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethoxymethoxy)ethyl]-5-methylthiophene-2-sulfonothioamide is sourced from PubChem (CID 131716394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).