3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide

C11H14BrNOS — CID 66218177

IUPAC3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrNOS/c1-8-6-15(14)7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyVPKPLCVJCMDIRV-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide

3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 66218177) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID66218177
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(c2ccc(Br)cc2)N1
InChIInChI=1S/C11H14BrNOS/c1-8-6-15(14)7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyVPKPLCVJCMDIRV-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide (CID 66218177) is 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide is CC1CS(=O)CC(c2ccc(Br)cc2)N1.
What is the InChIKey of 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is VPKPLCVJCMDIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-8-6-15(14)7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide?
3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 288.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66218177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).