5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

C11H16BrN3O2S2 — CID 104506988

IUPAC5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCc1c(N)cnc(N2CCSCC2S(C)(=O)=O)c1Br
InChIInChI=1S/C11H16BrN3O2S2/c1-7-8(13)5-14-11(10(7)12)15-3-4-18-6-9(15)19(2,16)17/h5,9H,3-4,6,13H2,1-2H3
InChIKeyIONLEKCHXLDXPS-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.66
Rot. Bonds2

About 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (PubChem CID 104506988) has the molecular formula C11H16BrN3O2S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
PubChem CID104506988
Molecular FormulaC11H16BrN3O2S2
Molecular Weight366.31 g/mol
Exact Mass364.99
IUPAC Name5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCc1c(N)cnc(N2CCSCC2S(C)(=O)=O)c1Br
InChIInChI=1S/C11H16BrN3O2S2/c1-7-8(13)5-14-11(10(7)12)15-3-4-18-6-9(15)19(2,16)17/h5,9H,3-4,6,13H2,1-2H3
InChIKeyIONLEKCHXLDXPS-UHFFFAOYSA-N
XLogP1.66
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
CID 103963434
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
CID 66382775
2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 66382975
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
4,6-dimethyl-2-(3-methylsulfonylthiomorpholin-4-yl)pyridine-3-carbothioamide
CID 66382485
6-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80851039
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-bromo-4-methylpyridin-3-amine
CID 113420505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (CID 104506988) is 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is Cc1c(N)cnc(N2CCSCC2S(C)(=O)=O)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
The InChIKey is IONLEKCHXLDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S2/c1-7-8(13)5-14-11(10(7)12)15-3-4-18-6-9(15)19(2,16)17/h5,9H,3-4,6,13H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?
5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine has a molecular weight of 366.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is sourced from PubChem (CID 104506988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).