N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C11H14BrN3O3S — CID 167899386

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1nc(NC(=O)N2CCS(=O)(=O)CC2)ccc1Br
InChIInChI=1S/C11H14BrN3O3S/c1-8-9(12)2-3-10(13-8)14-11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14,16)
InChIKeyCMKGQIFBJORDBS-UHFFFAOYSA-N
MW348.22 g/mol
LogP1.41
Rot. Bonds1

About N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 167899386) has the molecular formula C11H14BrN3O3S and a molecular weight of 348.22 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID167899386
Molecular FormulaC11H14BrN3O3S
Molecular Weight348.22 g/mol
Exact Mass346.99
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1nc(NC(=O)N2CCS(=O)(=O)CC2)ccc1Br
InChIInChI=1S/C11H14BrN3O3S/c1-8-9(12)2-3-10(13-8)14-11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14,16)
InChIKeyCMKGQIFBJORDBS-UHFFFAOYSA-N
XLogP1.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 167899386) is N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is Cc1nc(NC(=O)N2CCS(=O)(=O)CC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is CMKGQIFBJORDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S/c1-8-9(12)2-3-10(13-8)14-11(16)15-4-6-19(17,18)7-5-15/h2-3H,4-7H2,1H3,(H,13,14,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 348.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 167899386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).