6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid

C10H10BrNO4S — CID 84645795

IUPAC6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2cc(Br)ccc2S(=O)(=O)C1C(=O)O
InChIInChI=1S/C10H10BrNO4S/c1-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyNSPDKEHHODTJTN-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.49
Rot. Bonds1

About 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid

6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (PubChem CID 84645795) has the molecular formula C10H10BrNO4S and a molecular weight of 320.16 g/mol. Its IUPAC name is 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
PubChem CID84645795
Molecular FormulaC10H10BrNO4S
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
SMILESCC1Nc2cc(Br)ccc2S(=O)(=O)C1C(=O)O
InChIInChI=1S/C10H10BrNO4S/c1-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12-5/h2-5,9,12H,1H3,(H,13,14)
InChIKeyNSPDKEHHODTJTN-UHFFFAOYSA-N
XLogP1.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid with MolForge

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Related Compounds

2-(7-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)acetic acid
CID 84646452
6-bromo-2-tert-butyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84645688
(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 126662449
2-(5-bromo-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)acetic acid
CID 117200964
3-(6-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84646892
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
3-(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid
CID 79290535
6-bromo-N-cyclopropyl-2-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43539638
7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 70875781
6-bromo-2-methylsulfanyl-1,2-dihydroindol-3-one
CID 162949209
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
1-(5-bromo-1,1-dioxo-1-benzothiophen-3-yl)ethanol
CID 117120815

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The IUPAC name of 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid (CID 84645795) is 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The canonical SMILES for 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is CC1Nc2cc(Br)ccc2S(=O)(=O)C1C(=O)O.
What is the InChIKey of 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
The InChIKey is NSPDKEHHODTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4S/c1-5-9(10(13)14)17(15,16)8-3-2-6(11)4-7(8)12-5/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid?
6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid has a molecular weight of 320.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid is sourced from PubChem (CID 84645795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).