5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine

C11H16BrN3S — CID 103518532

IUPAC5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine
SMILESCC1SCCN(c2c(N)cncc2Br)C1C
InChIInChI=1S/C11H16BrN3S/c1-7-8(2)16-4-3-15(7)11-9(12)5-14-6-10(11)13/h5-8H,3-4,13H2,1-2H3
InChIKeyOPTBAOJAUSMDRB-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine

5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine (PubChem CID 103518532) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine
PubChem CID103518532
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC Name5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine
SMILESCC1SCCN(c2c(N)cncc2Br)C1C
InChIInChI=1S/C11H16BrN3S/c1-7-8(2)16-4-3-15(7)11-9(12)5-14-6-10(11)13/h5-8H,3-4,13H2,1-2H3
InChIKeyOPTBAOJAUSMDRB-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine (CID 103518532) is 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine is CC1SCCN(c2c(N)cncc2Br)C1C.
What is the InChIKey of 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine?
The InChIKey is OPTBAOJAUSMDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c1-7-8(2)16-4-3-15(7)11-9(12)5-14-6-10(11)13/h5-8H,3-4,13H2,1-2H3.
What are the key properties of 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine?
5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine has a molecular weight of 302.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine is sourced from PubChem (CID 103518532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).