1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine

C12H17FN2S — CID 107166794

IUPAC1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2S/c1-9(11-4-12(13)7-14-6-11)15-5-10-2-3-16-8-10/h4,6-7,9-10,15H,2-3,5,8H2,1H3
InChIKeyZMKQNBNZZDXQPN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.62
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine

1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166794) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166794
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2S/c1-9(11-4-12(13)7-14-6-11)15-5-10-2-3-16-8-10/h4,6-7,9-10,15H,2-3,5,8H2,1H3
InChIKeyZMKQNBNZZDXQPN-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103781450
5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
1-(4-fluorophenyl)-2-methyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131508
1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
CID 107295216
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 97231931
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine (CID 107166794) is 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine is CC(NCC1CCSC1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is ZMKQNBNZZDXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-9(11-4-12(13)7-14-6-11)15-5-10-2-3-16-8-10/h4,6-7,9-10,15H,2-3,5,8H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine?
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).