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

C10H13BrN2OS — CID 115774067

IUPAC4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)ncc1Br
InChIInChI=1S/C10H13BrN2OS/c1-8-6-10(12-7-9(8)11)13-2-4-15(14)5-3-13/h6-7H,2-5H2,1H3
InChIKeyAEKNEWSKLPBPGV-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.72
Rot. Bonds1

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

4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide (PubChem CID 115774067) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
PubChem CID115774067
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
SMILESCc1cc(N2CCS(=O)CC2)ncc1Br
InChIInChI=1S/C10H13BrN2OS/c1-8-6-10(12-7-9(8)11)13-2-4-15(14)5-3-13/h6-7H,2-5H2,1H3
InChIKeyAEKNEWSKLPBPGV-UHFFFAOYSA-N
XLogP1.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide (CID 115774067) is 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide is Cc1cc(N2CCS(=O)CC2)ncc1Br.
What is the InChIKey of 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide?
The InChIKey is AEKNEWSKLPBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-8-6-10(12-7-9(8)11)13-2-4-15(14)5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide?
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide has a molecular weight of 289.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 115774067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).