4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide

C12H11N3O4S — CID 54684949

IUPAC4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide
SMILESCn1c2c(c3ccccc31)S(=O)(=O)NC(C(N)=O)=C2O
InChIInChI=1S/C12H11N3O4S/c1-15-7-5-3-2-4-6(7)11-9(15)10(16)8(12(13)17)14-20(11,18)19/h2-5,14,16H,1H3,(H2,13,17)
InChIKeyVCMKDUFEQLQAQZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.18
Rot. Bonds1

About 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide

4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide (PubChem CID 54684949) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide
PubChem CID54684949
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide
SMILESCn1c2c(c3ccccc31)S(=O)(=O)NC(C(N)=O)=C2O
InChIInChI=1S/C12H11N3O4S/c1-15-7-5-3-2-4-6(7)11-9(15)10(16)8(12(13)17)14-20(11,18)19/h2-5,14,16H,1H3,(H2,13,17)
InChIKeyVCMKDUFEQLQAQZ-UHFFFAOYSA-N
XLogP0.18
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
CID 9907134
N-[2-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]ethyl]acetamide
CID 16124733
4-Hydroxy-4-[1-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 57392850
2,5-dihydro-2,5-dimethyl-4-hydroxy-N-phenyl-1,2-thiazino[5,6-b]indole-3-carboxamide-1,1-dioxide
CID 54684925
5-Ethyl-2,5-dihydro-4-hydroxy-2-methyl-N-phenyl-1,2-thiazino-[5,6-b]indole-3-carboxamide-1,1-dioxide
CID 54684971
8-chloro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-phenylthiazino[5,6-b]indole-3-carboxamide
CID 54684987
1-Benzyl-3-(trifluoromethylsulfamoyl)indole-2-carboxylic acid
CID 23194403
4-hydroxy-2,5-dimethyl-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiazino[5,6-b]indole-3-carboxamide
CID 54684921
Methyl 8-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
CID 54684936
Methyl 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
CID 54684966
2,5-Dihydro-2,5-dimethyl-N-(4-fluoro-phenyl)-4-hydroxy-1,2-thiazino[5,6-b]indole-3-carboxamide-1,1-dioxide
CID 54684985
Methyl 4-hydroxy-2,5-dimethyl-1,1-dioxo-7-(trifluoromethyl)thiazino[5,6-b]indole-3-carboxylate
CID 70616630

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide?
The IUPAC name of 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide (CID 54684949) is 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide?
The canonical SMILES for 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide is Cn1c2c(c3ccccc31)S(=O)(=O)NC(C(N)=O)=C2O.
What is the InChIKey of 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide?
The InChIKey is VCMKDUFEQLQAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-15-7-5-3-2-4-6(7)11-9(15)10(16)8(12(13)17)14-20(11,18)19/h2-5,14,16H,1H3,(H2,13,17).
What are the key properties of 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide?
4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide is sourced from PubChem (CID 54684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).