2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid

C9H9NO4S — CID 82376797

IUPAC2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCC1(C)Sc2cc(C(=O)O)oc2NC1=O
InChIInChI=1S/C9H9NO4S/c1-9(2)8(13)10-6-5(15-9)3-4(14-6)7(11)12/h3H,1-2H3,(H,10,13)(H,11,12)
InChIKeyXXEVZKLYOZNSHB-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.80
Rot. Bonds1

About 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid

2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid (PubChem CID 82376797) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid
PubChem CID82376797
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCC1(C)Sc2cc(C(=O)O)oc2NC1=O
InChIInChI=1S/C9H9NO4S/c1-9(2)8(13)10-6-5(15-9)3-4(14-6)7(11)12/h3H,1-2H3,(H,10,13)(H,11,12)
InChIKeyXXEVZKLYOZNSHB-UHFFFAOYSA-N
XLogP1.80
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid (CID 82376797) is 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid is CC1(C)Sc2cc(C(=O)O)oc2NC1=O.
What is the InChIKey of 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid?
The InChIKey is XXEVZKLYOZNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c1-9(2)8(13)10-6-5(15-9)3-4(14-6)7(11)12/h3H,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid?
2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid has a molecular weight of 227.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid is sourced from PubChem (CID 82376797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).