1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol

C15H15NO3S2 — CID 66600165

IUPAC1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESCCN1c2ccsc2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C15H15NO3S2/c1-3-16-12-8-9-20-14(12)13(17)15(21(16,18)19)11-7-5-4-6-10(11)2/h4-9,17H,3H2,1-2H3
InChIKeyRJFYQNWCHMEYHJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.61
Rot. Bonds2

About 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol

1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol (PubChem CID 66600165) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol.

Molecular Properties

Compound Name1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol
PubChem CID66600165
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol
SMILESCCN1c2ccsc2C(O)=C(c2ccccc2C)S1(=O)=O
InChIInChI=1S/C15H15NO3S2/c1-3-16-12-8-9-20-14(12)13(17)15(21(16,18)19)11-7-5-4-6-10(11)2/h4-9,17H,3H2,1-2H3
InChIKeyRJFYQNWCHMEYHJ-UHFFFAOYSA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The IUPAC name of 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol (CID 66600165) is 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol.
What is the SMILES notation for 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The canonical SMILES for 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol is CCN1c2ccsc2C(O)=C(c2ccccc2C)S1(=O)=O.
What is the InChIKey of 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol?
The InChIKey is RJFYQNWCHMEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-3-16-12-8-9-20-14(12)13(17)15(21(16,18)19)11-7-5-4-6-10(11)2/h4-9,17H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol?
1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol has a molecular weight of 321.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylphenyl)-2,2-dioxothieno[3,2-c]thiazin-4-ol is sourced from PubChem (CID 66600165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).