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

C10H15NO5S3 — CID 67917629

IUPAC4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H15NO5S3/c1-2-3-6-4-8(12)7-5-9(19(11,15)16)17-10(7)18(6,13)14/h5-6,8,12H,2-4H2,1H3,(H2,11,15,16)
InChIKeyPIDLSAZVGGOMMY-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.77
Rot. Bonds3

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

4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 67917629) has the molecular formula C10H15NO5S3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID67917629
Molecular FormulaC10H15NO5S3
Molecular Weight325.43 g/mol
Exact Mass325.01
IUPAC Name4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C10H15NO5S3/c1-2-3-6-4-8(12)7-5-9(19(11,15)16)17-10(7)18(6,13)14/h5-6,8,12H,2-4H2,1H3,(H2,11,15,16)
InChIKeyPIDLSAZVGGOMMY-UHFFFAOYSA-N
XLogP0.77
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 67917629) is 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is CCCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is PIDLSAZVGGOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S3/c1-2-3-6-4-8(12)7-5-9(19(11,15)16)17-10(7)18(6,13)14/h5-6,8,12H,2-4H2,1H3,(H2,11,15,16).
What are the key properties of 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 67917629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).