1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine

C12H18FN3S — CID 83125999

IUPAC1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
SMILESNC(CCN1CCSCC1)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3S/c13-10-1-2-12(15-9-10)11(14)3-4-16-5-7-17-8-6-16/h1-2,9,11H,3-8,14H2
InChIKeyNPCFWXVHEOYAEY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.66
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 83125999) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID83125999
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
SMILESNC(CCN1CCSCC1)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3S/c13-10-1-2-12(15-9-10)11(14)3-4-16-5-7-17-8-6-16/h1-2,9,11H,3-8,14H2
InChIKeyNPCFWXVHEOYAEY-UHFFFAOYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine (CID 83125999) is 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine is NC(CCN1CCSCC1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is NPCFWXVHEOYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c13-10-1-2-12(15-9-10)11(14)3-4-16-5-7-17-8-6-16/h1-2,9,11H,3-8,14H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 83125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).