6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

C10H13NO6S3 — CID 68841178

IUPAC6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
SMILESCOCCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H13NO6S3/c1-17-3-2-6-4-8(12)7-5-9(20(11,15)16)18-10(7)19(6,13)14/h5-6H,2-4H2,1H3,(H2,11,15,16)
InChIKeyTYSNWCOBCKNFJR-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.16
Rot. Bonds4

About 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 68841178) has the molecular formula C10H13NO6S3 and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID68841178
Molecular FormulaC10H13NO6S3
Molecular Weight339.42 g/mol
Exact Mass338.99
IUPAC Name6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
SMILESCOCCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H13NO6S3/c1-17-3-2-6-4-8(12)7-5-9(20(11,15)16)18-10(7)19(6,13)14/h5-6H,2-4H2,1H3,(H2,11,15,16)
InChIKeyTYSNWCOBCKNFJR-UHFFFAOYSA-N
XLogP0.16
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide (CID 68841178) is 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide is COCCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is TYSNWCOBCKNFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S3/c1-17-3-2-6-4-8(12)7-5-9(20(11,15)16)18-10(7)19(6,13)14/h5-6H,2-4H2,1H3,(H2,11,15,16).
What are the key properties of 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 68841178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).