6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C10H11BrN2O2S — CID 44608189

IUPAC6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-5,8,12H,2-3,6H2
InChIKeyHMMYQIPUKHKTRZ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.67
Rot. Bonds1

About 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 44608189) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID44608189
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)NCN(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-5,8,12H,2-3,6H2
InChIKeyHMMYQIPUKHKTRZ-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazine-6-carbonitrile
CID 44610559
4-cyclopropyl-5-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530562
7-bromo-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 68868465
7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530722
6-bromo-3,3-dideuterio-2H-1,2-benzothiazole 1,1-dioxide
CID 168795409
4-(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
CID 58081124
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
(4R)-8-bromo-4-methyl-2,3,4,5-tetrahydro-1λ6,2-benzothiazepine 1,1-dioxide
CID 129025140
6,7,7a,8,9,10-hexahydropyrrolo[2,1-d][1,2,5]benzothiadiazepine 5,5-dioxide
CID 146413332
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
CID 117031054
6-bromo-2,2,4-trimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644770

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 44608189) is 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)NCN(C2CC2)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is HMMYQIPUKHKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-7-1-4-10-9(5-7)13(8-2-3-8)6-12-16(10,14)15/h1,4-5,8,12H,2-3,6H2.
What are the key properties of 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 303.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyclopropyl-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 44608189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).