2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid

C10H11BrN2O4S — CID 84610228

IUPAC2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid
SMILESO=C(O)C1CNS(=O)(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C10H11BrN2O4S/c11-8-3-1-2-4-9(8)13-6-7(10(14)15)5-12-18(13,16)17/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyJCSCCNXTJOMXSY-UHFFFAOYSA-N
MW335.18 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid

2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid (PubChem CID 84610228) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid
PubChem CID84610228
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid
SMILESO=C(O)C1CNS(=O)(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C10H11BrN2O4S/c11-8-3-1-2-4-9(8)13-6-7(10(14)15)5-12-18(13,16)17/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyJCSCCNXTJOMXSY-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid
CID 84610221
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026585
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
1-(1,1-dioxothiolan-3-yl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903025
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
3-(2-bromophenyl)cyclohexane-1-carboxylic acid
CID 115052012
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 120657752
1-(2-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952895
5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol
CID 90839862
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid (CID 84610228) is 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid is O=C(O)C1CNS(=O)(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid?
The InChIKey is JCSCCNXTJOMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c11-8-3-1-2-4-9(8)13-6-7(10(14)15)5-12-18(13,16)17/h1-4,7,12H,5-6H2,(H,14,15).
What are the key properties of 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid?
2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid has a molecular weight of 335.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid is sourced from PubChem (CID 84610228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).