(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine

C18H28FN3S — CID 11427706

IUPAC(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine
SMILESCNC[C@@H](CCN1CCC1N1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3S/c1-20-14-16(15-2-4-17(19)5-3-15)6-8-21-9-7-18(21)22-10-12-23-13-11-22/h2-5,16,18,20H,6-14H2,1H3/t16-,18?/m1/s1
InChIKeyFYVWIOGHJVSIFS-PYUWXLGESA-N
MW337.51 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine

(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine (PubChem CID 11427706) has the molecular formula C18H28FN3S and a molecular weight of 337.51 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine
PubChem CID11427706
Molecular FormulaC18H28FN3S
Molecular Weight337.51 g/mol
Exact Mass337.20
IUPAC Name(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine
SMILESCNC[C@@H](CCN1CCC1N1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FN3S/c1-20-14-16(15-2-4-17(19)5-3-15)6-8-21-9-7-18(21)22-10-12-23-13-11-22/h2-5,16,18,20H,6-14H2,1H3/t16-,18?/m1/s1
InChIKeyFYVWIOGHJVSIFS-PYUWXLGESA-N
XLogP2.60
TPSA18.51 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine 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

5-(2-Fluorophenyl)-2,2-dimethyl-1,3-diazinane
CID 21290603
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-Fluoro-2-phenyl-2-propylthiomorpholine
CID 67818614
3-(4-Fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentan-1-amine
CID 68978926
4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine
CID 69138154
1-[4-(2-fluorophenyl)piperidin-1-yl]-N-methylmethanamine
CID 143816752
(Z)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylidene-4-methylsulfanylbut-3-en-1-amine
CID 170192403
2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine
CID 11772081
N-[2-(2,6-difluorophenyl)ethyl]thiomorpholine-4-carboxamide
CID 47332569
N-[2-(2-fluorophenyl)-2-methylpropyl]thiomorpholine-4-carboxamide
CID 52836056
N-[2-(3-fluorophenyl)cyclopropyl]thiomorpholine-4-carboxamide
CID 60595721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine (CID 11427706) is (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine is CNC[C@@H](CCN1CCC1N1CCSCC1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine?
The InChIKey is FYVWIOGHJVSIFS-PYUWXLGESA-N. The full InChI is InChI=1S/C18H28FN3S/c1-20-14-16(15-2-4-17(19)5-3-15)6-8-21-9-7-18(21)22-10-12-23-13-11-22/h2-5,16,18,20H,6-14H2,1H3/t16-,18?/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine?
(2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-methyl-4-(2-thiomorpholin-4-ylazetidin-1-yl)butan-1-amine is sourced from PubChem (CID 11427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).