2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C9H11BrN2O2S — CID 117026585

IUPAC2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(c2ccccc2Br)S1(=O)=O
InChIInChI=1S/C9H11BrN2O2S/c1-11-6-7-12(15(11,13)14)9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChIKeyDNZQSVZHDUUHSY-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.45
Rot. Bonds1

About 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117026585) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117026585
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(c2ccccc2Br)S1(=O)=O
InChIInChI=1S/C9H11BrN2O2S/c1-11-6-7-12(15(11,13)14)9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChIKeyDNZQSVZHDUUHSY-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol
CID 90839862
3-fluoro-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)aniline
CID 82513571
2-(3,4-dimethylphenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026551
2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol
CID 84805343
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid
CID 84610228
1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006767
1-(2-bromophenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 13268666
2-[(2-bromo-4-methylphenyl)methyl]-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 167890269
1-(2-bromophenyl)-1,4-diazepane-2,5-dione
CID 64962319
2-bromo-6-(1,1-dioxo-1,4-thiazepan-4-yl)benzoic acid
CID 114083793

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 117026585) is 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is CN1CCN(c2ccccc2Br)S1(=O)=O.
What is the InChIKey of 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is DNZQSVZHDUUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-11-6-7-12(15(11,13)14)9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 291.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).