6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

C10H15NO6S3 — CID 67692704

IUPAC6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCOCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H15NO6S3/c1-2-17-5-6-3-8(12)7-4-9(20(11,15)16)18-10(7)19(6,13)14/h4,6,8,12H,2-3,5H2,1H3,(H2,11,15,16)
InChIKeyHQNALGPIHPMHBQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.01
Rot. Bonds4

About 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 67692704) has the molecular formula C10H15NO6S3 and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID67692704
Molecular FormulaC10H15NO6S3
Molecular Weight341.43 g/mol
Exact Mass341.01
IUPAC Name6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCOCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H15NO6S3/c1-2-17-5-6-3-8(12)7-4-9(20(11,15)16)18-10(7)19(6,13)14/h4,6,8,12H,2-3,5H2,1H3,(H2,11,15,16)
InChIKeyHQNALGPIHPMHBQ-UHFFFAOYSA-N
XLogP0.01
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 67692704) is 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is CCOCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is HQNALGPIHPMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S3/c1-2-17-5-6-3-8(12)7-4-9(20(11,15)16)18-10(7)19(6,13)14/h4,6,8,12H,2-3,5H2,1H3,(H2,11,15,16).
What are the key properties of 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 67692704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).