6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide

C9H11NO3S3 — CID 14392083

IUPAC6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC1(C)CC(=O)c2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C9H11NO3S3/c1-9(2)4-6(11)5-3-7(16(10,12)13)14-8(5)15-9/h3H,4H2,1-2H3,(H2,10,12,13)
InChIKeyPSUGXDHZOOOPDK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.85
Rot. Bonds1

About 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide

6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 14392083) has the molecular formula C9H11NO3S3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID14392083
Molecular FormulaC9H11NO3S3
Molecular Weight277.39 g/mol
Exact Mass276.99
IUPAC Name6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC1(C)CC(=O)c2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C9H11NO3S3/c1-9(2)4-6(11)5-3-7(16(10,12)13)14-8(5)15-9/h3H,4H2,1-2H3,(H2,10,12,13)
InChIKeyPSUGXDHZOOOPDK-UHFFFAOYSA-N
XLogP1.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 14392083) is 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide is CC1(C)CC(=O)c2cc(S(N)(=O)=O)sc2S1.
What is the InChIKey of 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is PSUGXDHZOOOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S3/c1-9(2)4-6(11)5-3-7(16(10,12)13)14-8(5)15-9/h3H,4H2,1-2H3,(H2,10,12,13).
What are the key properties of 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide?
6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-oxo-5H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 14392083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).