5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

C10H10BrNO2S — CID 115096962

IUPAC5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2cccc(Br)c2NCC12CC2
InChIInChI=1S/C10H10BrNO2S/c11-7-2-1-3-8-9(7)12-6-10(4-5-10)15(8,13)14/h1-3,12H,4-6H2
InChIKeyCEOVLSJELOBGHS-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.18
Rot. Bonds

About 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (PubChem CID 115096962) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.

Molecular Properties

Compound Name5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
PubChem CID115096962
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2cccc(Br)c2NCC12CC2
InChIInChI=1S/C10H10BrNO2S/c11-7-2-1-3-8-9(7)12-6-10(4-5-10)15(8,13)14/h1-3,12H,4-6H2
InChIKeyCEOVLSJELOBGHS-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide with MolForge

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Related Compounds

spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096856
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
2,2-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylic acid
CID 115096554
8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096858
5-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclobutane]
CID 115097313
6-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099309
7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
CID 154118994
8-bromo-3,3-difluoro-2,4-dihydro-1H-quinoline
CID 84728816
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
5-bromo-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644763
5-bromo-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-3-carboxylic acid
CID 84644837

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The IUPAC name of 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (CID 115096962) is 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.
What is the SMILES notation for 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The canonical SMILES for 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is O=S1(=O)c2cccc(Br)c2NCC12CC2.
What is the InChIKey of 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The InChIKey is CEOVLSJELOBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c11-7-2-1-3-8-9(7)12-6-10(4-5-10)15(8,13)14/h1-3,12H,4-6H2.
What are the key properties of 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide has a molecular weight of 288.17 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is sourced from PubChem (CID 115096962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).