4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride

C11H16BrClN2OS — CID 20569593

IUPAC4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride
SMILESCc1cc(N2CCS(=O)CC2)c(Br)c(C)n1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-8-7-10(11(12)9(2)13-8)14-3-5-16(15)6-4-14;/h7H,3-6H2,1-2H3;1H
InChIKeyCYWCMNCNNQMRIR-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.45
Rot. Bonds1

About 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride

4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 20569593) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

Compound Name4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride
PubChem CID20569593
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC Name4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride
SMILESCc1cc(N2CCS(=O)CC2)c(Br)c(C)n1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-8-7-10(11(12)9(2)13-8)14-3-5-16(15)6-4-14;/h7H,3-6H2,1-2H3;1H
InChIKeyCYWCMNCNNQMRIR-UHFFFAOYSA-N
XLogP2.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride?
The IUPAC name of 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride (CID 20569593) is 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride.
What is the SMILES notation for 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride?
The canonical SMILES for 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride is Cc1cc(N2CCS(=O)CC2)c(Br)c(C)n1.Cl.
What is the InChIKey of 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride?
The InChIKey is CYWCMNCNNQMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c1-8-7-10(11(12)9(2)13-8)14-3-5-16(15)6-4-14;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride?
4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,6-dimethyl-4-pyridinyl)-1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 20569593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).