3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H21FN2OS — CID 83128589

IUPAC3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(F)cn2)CC(C)S1
InChIInChI=1S/C14H21FN2OS/c1-10-8-17(9-11(2)19-10)6-5-14(18)13-4-3-12(15)7-16-13/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyIPYTYGMCTHDDCR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.47
Rot. Bonds4

About 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83128589) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83128589
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC1CN(CCC(O)c2ccc(F)cn2)CC(C)S1
InChIInChI=1S/C14H21FN2OS/c1-10-8-17(9-11(2)19-10)6-5-14(18)13-4-3-12(15)7-16-13/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3
InChIKeyIPYTYGMCTHDDCR-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.47
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)-N-methylpropan-1-amine
CID 83126435
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128488
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126594
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886648
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126033
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
1-(2,6-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229256
(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
[(2S)-2-(5-fluoro-2-pyridinyl)-2-hydroxyethyl] methanesulfonate
CID 89392644
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837883
2-(tert-butylamino)-1-(5-fluoro-2-pyridinyl)ethanol
CID 138472981

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83128589) is 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CC1CN(CCC(O)c2ccc(F)cn2)CC(C)S1.
What is the InChIKey of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is IPYTYGMCTHDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-10-8-17(9-11(2)19-10)6-5-14(18)13-4-3-12(15)7-16-13/h3-4,7,10-11,14,18H,5-6,8-9H2,1-2H3.
What are the key properties of 3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 2.47, 4 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)propan-1-ol is sourced from PubChem (CID 83128589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).