1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine

C12H18FN3S — CID 114035380

IUPAC1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1N1CCSCC1C
InChIInChI=1S/C12H18FN3S/c1-9-8-17-4-3-16(9)12-10(6-14-2)5-11(13)7-15-12/h5,7,9,14H,3-4,6,8H2,1-2H3
InChIKeyKADXZEJEZWQHLU-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds3

About 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 114035380) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID114035380
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(F)cnc1N1CCSCC1C
InChIInChI=1S/C12H18FN3S/c1-9-8-17-4-3-16(9)12-10(6-14-2)5-11(13)7-15-12/h5,7,9,14H,3-4,6,8H2,1-2H3
InChIKeyKADXZEJEZWQHLU-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
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-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine (CID 114035380) is 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(F)cnc1N1CCSCC1C.
What is the InChIKey of 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is KADXZEJEZWQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c1-9-8-17-4-3-16(9)12-10(6-14-2)5-11(13)7-15-12/h5,7,9,14H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114035380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).