4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine

C11H15FN2S — CID 126789555

IUPAC4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
SMILESCC1CN(Cc2cncc(F)c2)CCS1
InChIInChI=1S/C11H15FN2S/c1-9-7-14(2-3-15-9)8-10-4-11(12)6-13-5-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUPRZSOIRCNUIMX-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.16
Rot. Bonds2

About 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine

4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine (PubChem CID 126789555) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
PubChem CID126789555
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
SMILESCC1CN(Cc2cncc(F)c2)CCS1
InChIInChI=1S/C11H15FN2S/c1-9-7-14(2-3-15-9)8-10-4-11(12)6-13-5-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyUPRZSOIRCNUIMX-UHFFFAOYSA-N
XLogP2.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
3-[(2-methylthiomorpholin-4-yl)methyl]aniline
CID 115776981
(3aR,6aS)-5-[(5-fluoro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660916
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
1-[(5-fluoro-3-pyridinyl)methyl]-3,3-dimethylpiperazine
CID 104956316
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine (CID 126789555) is 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine is CC1CN(Cc2cncc(F)c2)CCS1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine?
The InChIKey is UPRZSOIRCNUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-9-7-14(2-3-15-9)8-10-4-11(12)6-13-5-10/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine?
4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine has a molecular weight of 226.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine is sourced from PubChem (CID 126789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).