3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide

C11H13BrFNOS — CID 82973307

IUPAC3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2cc(Br)ccc2F)N1
InChIInChI=1S/C11H13BrFNOS/c1-7-5-16(15)6-11(14-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyTUBFCCOUZVNFJD-UHFFFAOYSA-N
MW306.20 g/mol
LogP2.37
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide

3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 82973307) has the molecular formula C11H13BrFNOS and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID82973307
Molecular FormulaC11H13BrFNOS
Molecular Weight306.20 g/mol
Exact Mass304.99
IUPAC Name3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2cc(Br)ccc2F)N1
InChIInChI=1S/C11H13BrFNOS/c1-7-5-16(15)6-11(14-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyTUBFCCOUZVNFJD-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 66218177
3-(5-bromo-2-fluorophenyl)-7-methyl-1,4-thiazepane 1-oxide
CID 82972936
3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazinane 1-oxide
CID 66217450
5-(4-bromo-2-fluorophenyl)-1-oxo-1,4-thiazinane-3-carboxylic acid
CID 82974005
3-(4-bromo-2-chlorophenyl)-5-ethyl-1,4-thiazinane 1-oxide
CID 82781098
2-(5-bromo-2-methylphenyl)-4-methylazetidine
CID 116822046
methyl 5-(5-bromo-2-fluorophenyl)thiomorpholine-3-carboxylate
CID 82972948
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
2-(5-bromo-2-fluorophenyl)-6-methyl-1,3-thiazinane
CID 66225572
3-(5-bromo-2-fluorophenyl)piperazin-2-one
CID 62349992
3-(2,5-dimethylfuran-3-yl)-5-methyl-1,4-thiazepane 1-oxide
CID 66234893
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide (CID 82973307) is 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide is CC1CS(=O)CC(c2cc(Br)ccc2F)N1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is TUBFCCOUZVNFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNOS/c1-7-5-16(15)6-11(14-7)9-4-8(12)2-3-10(9)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide?
3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 306.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 82973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).