3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine

C15H24FN3S — CID 83126435

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(C)SC(C)C1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3S/c1-11-9-19(10-12(2)20-11)7-6-14(17-3)15-5-4-13(16)8-18-15/h4-5,8,11-12,14,17H,6-7,9-10H2,1-3H3
InChIKeyWKWUKGNMQCWMAK-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.70
Rot. Bonds5

About 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine

3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine (PubChem CID 83126435) has the molecular formula C15H24FN3S and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
PubChem CID83126435
Molecular FormulaC15H24FN3S
Molecular Weight297.44 g/mol
Exact Mass297.17
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CC(C)SC(C)C1)c1ccc(F)cn1
InChIInChI=1S/C15H24FN3S/c1-11-9-19(10-12(2)20-11)7-6-14(17-3)15-5-4-13(16)8-18-15/h4-5,8,11-12,14,17H,6-7,9-10H2,1-3H3
InChIKeyWKWUKGNMQCWMAK-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128589
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539032
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837883
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-N-methylpropan-1-amine
CID 83111511
1-(5-fluoro-2-pyridinyl)-N-methyl-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 83126206
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine
CID 83126704
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
2-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-2-yl]ethanol
CID 83110527
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine (CID 83126435) is 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine is CNC(CCN1CC(C)SC(C)C1)c1ccc(F)cn1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?
The InChIKey is WKWUKGNMQCWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3S/c1-11-9-19(10-12(2)20-11)7-6-14(17-3)15-5-4-13(16)8-18-15/h4-5,8,11-12,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 83126435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).