1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone

C12H14BrNO2S — CID 54977317

IUPAC1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CN1CCS(=O)CC1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2S/c13-11-4-2-1-3-10(11)12(15)9-14-5-7-17(16)8-6-14/h1-4H,5-9H2
InChIKeyVGTVPISOGDXFST-UHFFFAOYSA-N
MW316.22 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone

1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 54977317) has the molecular formula C12H14BrNO2S and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID54977317
Molecular FormulaC12H14BrNO2S
Molecular Weight316.22 g/mol
Exact Mass314.99
IUPAC Name1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CN1CCS(=O)CC1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2S/c13-11-4-2-1-3-10(11)12(15)9-14-5-7-17(16)8-6-14/h1-4H,5-9H2
InChIKeyVGTVPISOGDXFST-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 54977317) is 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone is O=C(CN1CCS(=O)CC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is VGTVPISOGDXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2S/c13-11-4-2-1-3-10(11)12(15)9-14-5-7-17(16)8-6-14/h1-4H,5-9H2.
What are the key properties of 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone?
1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 316.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 54977317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).