4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide

C14H21BrN2OS — CID 133479522

IUPAC4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2ccc(Br)c(C)n2)CCS1=O
InChIInChI=1S/C14H21BrN2OS/c1-4-14(5-2)10-17(8-9-19(14)18)13-7-6-12(15)11(3)16-13/h6-7H,4-5,8-10H2,1-3H3
InChIKeyDJNZBRLAUKNLPA-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.28
Rot. Bonds3

About 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479522) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479522
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2ccc(Br)c(C)n2)CCS1=O
InChIInChI=1S/C14H21BrN2OS/c1-4-14(5-2)10-17(8-9-19(14)18)13-7-6-12(15)11(3)16-13/h6-7H,4-5,8-10H2,1-3H3
InChIKeyDJNZBRLAUKNLPA-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479608
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137266312
1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
CID 75487705
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine
CID 154827607
4-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479598
2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479391
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479425
2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
CID 133479395
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
CID 133479468

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479522) is 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2ccc(Br)c(C)n2)CCS1=O.
What is the InChIKey of 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is DJNZBRLAUKNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-4-14(5-2)10-17(8-9-19(14)18)13-7-6-12(15)11(3)16-13/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 345.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).