7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide

C7H7NO4S3 — CID 67577352

IUPAC7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)C=CC2
InChIInChI=1S/C7H7NO4S3/c8-15(11,12)6-4-5-2-1-3-14(9,10)7(5)13-6/h1,3-4H,2H2,(H2,8,11,12)
InChIKeyBIOOSMLACZNBAB-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.24
Rot. Bonds1

About 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide

7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 67577352) has the molecular formula C7H7NO4S3 and a molecular weight of 265.34 g/mol. Its IUPAC name is 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID67577352
Molecular FormulaC7H7NO4S3
Molecular Weight265.34 g/mol
Exact Mass264.95
IUPAC Name7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)C=CC2
InChIInChI=1S/C7H7NO4S3/c8-15(11,12)6-4-5-2-1-3-14(9,10)7(5)13-6/h1,3-4H,2H2,(H2,8,11,12)
InChIKeyBIOOSMLACZNBAB-UHFFFAOYSA-N
XLogP0.24
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 67577352) is 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide is NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C=CC2.
What is the InChIKey of 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is BIOOSMLACZNBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S3/c8-15(11,12)6-4-5-2-1-3-14(9,10)7(5)13-6/h1,3-4H,2H2,(H2,8,11,12).
What are the key properties of 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 67577352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).