(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H12BrNO3S — CID 43581847

IUPAC(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2
InChIKeyJZVOMFPVZJBLRG-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.32
Rot. Bonds1

About (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43581847) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43581847
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2
InChIKeyJZVOMFPVZJBLRG-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43581847) is (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(Br)cc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is JZVOMFPVZJBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2.
What are the key properties of (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 318.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43581847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).