N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide

C16H16N2O4S2 — CID 54687554

IUPACN-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
InChIInChI=1S/C16H16N2O4S2/c1-9-5-4-6-10(2)12(9)17-16(20)15-13(19)14-11(7-8-23-14)18(3)24(15,21)22/h4-8,19H,1-3H3,(H,17,20)
InChIKeyXFNVZPINXQGSBN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.01
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide

N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54687554) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54687554
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC NameN-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
InChIInChI=1S/C16H16N2O4S2/c1-9-5-4-6-10(2)12(9)17-16(20)15-13(19)14-11(7-8-23-14)18(3)24(15,21)22/h4-8,19H,1-3H3,(H,17,20)
InChIKeyXFNVZPINXQGSBN-UHFFFAOYSA-N
XLogP3.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54687554) is N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is XFNVZPINXQGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-9-5-4-6-10(2)12(9)17-16(20)15-13(19)14-11(7-8-23-14)18(3)24(15,21)22/h4-8,19H,1-3H3,(H,17,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).