4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C10H12BrClN2O2S — CID 103583476

IUPAC4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O2S/c1-7-6-17(15,16)3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyBRXMQYJKQNQEPL-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.12
Rot. Bonds1

About 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 103583476) has the molecular formula C10H12BrClN2O2S and a molecular weight of 339.64 g/mol. Its IUPAC name is 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID103583476
Molecular FormulaC10H12BrClN2O2S
Molecular Weight339.64 g/mol
Exact Mass337.95
IUPAC Name4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C10H12BrClN2O2S/c1-7-6-17(15,16)3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3
InChIKeyBRXMQYJKQNQEPL-UHFFFAOYSA-N
XLogP2.12
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-3-nitro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885954
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884286
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
N-methyl-1-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102884802
2-[5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 102887231
5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
CID 103583473
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrazin-2-one
CID 102888057
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885431
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885486

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 103583476) is 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is BRXMQYJKQNQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S/c1-7-6-17(15,16)3-2-14(7)10-9(12)4-8(11)5-13-10/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 339.64 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 103583476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).