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

C8H11NO5S3 — CID 72720701

IUPAC(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESC[C@H]1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C8H11NO5S3/c1-4-2-6(10)5-3-7(17(9,13)14)15-8(5)16(4,11)12/h3-4,6,10H,2H2,1H3,(H2,9,13,14)/t4-,6?/m0/s1
InChIKeyZXSUWHJGLUHKPC-VKZKZBKNSA-N
MW297.38 g/mol
LogP-0.01
Rot. Bonds1

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

(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 72720701) has the molecular formula C8H11NO5S3 and a molecular weight of 297.38 g/mol. Its IUPAC name is (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID72720701
Molecular FormulaC8H11NO5S3
Molecular Weight297.38 g/mol
Exact Mass296.98
IUPAC Name(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESC[C@H]1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C8H11NO5S3/c1-4-2-6(10)5-3-7(17(9,13)14)15-8(5)16(4,11)12/h3-4,6,10H,2H2,1H3,(H2,9,13,14)/t4-,6?/m0/s1
InChIKeyZXSUWHJGLUHKPC-VKZKZBKNSA-N
XLogP-0.01
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 72720701) is (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is C[C@H]1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is ZXSUWHJGLUHKPC-VKZKZBKNSA-N. The full InChI is InChI=1S/C8H11NO5S3/c1-4-2-6(10)5-3-7(17(9,13)14)15-8(5)16(4,11)12/h3-4,6,10H,2H2,1H3,(H2,9,13,14)/t4-,6?/m0/s1.
What are the key properties of (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide?
(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 72720701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).