2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine

C16H21N3S — CID 115485907

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine
SMILESCC1CN(Cc2cc(N)c3ccccc3n2)CC(C)S1
InChIInChI=1S/C16H21N3S/c1-11-8-19(9-12(2)20-11)10-13-7-15(17)14-5-3-4-6-16(14)18-13/h3-7,11-12H,8-10H2,1-2H3,(H2,17,18)
InChIKeyZETSVAGCMUWDHM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.14
Rot. Bonds2

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine (PubChem CID 115485907) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine
PubChem CID115485907
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine
SMILESCC1CN(Cc2cc(N)c3ccccc3n2)CC(C)S1
InChIInChI=1S/C16H21N3S/c1-11-8-19(9-12(2)20-11)10-13-7-15(17)14-5-3-4-6-16(14)18-13/h3-7,11-12H,8-10H2,1-2H3,(H2,17,18)
InChIKeyZETSVAGCMUWDHM-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine (CID 115485907) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine is CC1CN(Cc2cc(N)c3ccccc3n2)CC(C)S1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine?
The InChIKey is ZETSVAGCMUWDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-8-19(9-12(2)20-11)10-13-7-15(17)14-5-3-4-6-16(14)18-13/h3-7,11-12H,8-10H2,1-2H3,(H2,17,18).
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 115485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).