3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine

C18H28FN3S — CID 68978926

IUPAC3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine
SMILESNCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3S/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22/h1-4,16,18H,5-14,20H2
InChIKeyYLPCBDQWGLGLIH-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.38
Rot. Bonds7

About 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine

3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine (PubChem CID 68978926) has the molecular formula C18H28FN3S and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine
PubChem CID68978926
Molecular FormulaC18H28FN3S
Molecular Weight337.51 g/mol
Exact Mass337.20
IUPAC Name3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine
SMILESNCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3S/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22/h1-4,16,18H,5-14,20H2
InChIKeyYLPCBDQWGLGLIH-UHFFFAOYSA-N
XLogP2.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-3,5-dimethylpiperazine
CID 142590736
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(cyclopropylmethyl)piperidin-4-amine
CID 155769427
cis 1-[4-(4-Fluorophenyl)-1-cyclohexyl]piperazine
CID 22122079
2-[4-(4-Fluorophenyl)piperidin-1-YL]ethanamine
CID 49760353
2-(4-fluorophenyl)-N-methyl-4-(3-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine
CID 58683526
2-(2-Fluorophenyl)-2-propylthiomorpholine
CID 67818605
[3-(4-Fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid
CID 68978727
[2-(4-Fluorophenyl)-4-(2-thiomorpholin-3-ylazetidin-2-yl)butyl]-methylcarbamic acid
CID 69278895
[4-(Azetidin-1-yl)-2-(4-fluorophenyl)-4-thiomorpholin-3-ylbutyl]-methylcarbamic acid
CID 69278896
[3-(4-Fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid
CID 69278897
1-(2-fluorophenyl)spiro[3a,6-dihydro-1H-2-benzothiophene-3,4'-piperidine]
CID 70525237
(2S)-1-[(3R,4R)-4-(3-fluorophenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 118248864

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine (CID 68978926) is 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine is NCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine?
The InChIKey is YLPCBDQWGLGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3S/c19-17-3-1-15(2-4-17)16(5-7-20)6-8-21-13-18(14-21)22-9-11-23-12-10-22/h1-4,16,18H,5-14,20H2.
What are the key properties of 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine?
3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine is sourced from PubChem (CID 68978926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).