6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide

C11H17NO5S3 — CID 70446569

IUPAC6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide
SMILESCOCCOCOC1CSc2cc(S(N)(=O)=O)sc2C1
InChIInChI=1S/C11H17NO5S3/c1-15-2-3-16-7-17-8-4-10-9(18-6-8)5-11(19-10)20(12,13)14/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyCBYUQQASNJVYJU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.05
Rot. Bonds7

About 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide

6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide (PubChem CID 70446569) has the molecular formula C11H17NO5S3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide
PubChem CID70446569
Molecular FormulaC11H17NO5S3
Molecular Weight339.46 g/mol
Exact Mass339.03
IUPAC Name6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide
SMILESCOCCOCOC1CSc2cc(S(N)(=O)=O)sc2C1
InChIInChI=1S/C11H17NO5S3/c1-15-2-3-16-7-17-8-4-10-9(18-6-8)5-11(19-10)20(12,13)14/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyCBYUQQASNJVYJU-UHFFFAOYSA-N
XLogP1.05
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide (CID 70446569) is 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide is COCCOCOC1CSc2cc(S(N)(=O)=O)sc2C1.
What is the InChIKey of 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide?
The InChIKey is CBYUQQASNJVYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S3/c1-15-2-3-16-7-17-8-4-10-9(18-6-8)5-11(19-10)20(12,13)14/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide?
6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxymethoxy)-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 70446569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).