N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide

C13H17FN2OS — CID 91843372

IUPACN-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
SMILESO=C(CCN1CCSCC1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2OS/c14-11-3-1-2-4-12(11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyVOKFXHBQZNYLKE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.20
Rot. Bonds4

About N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide

N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide (PubChem CID 91843372) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
PubChem CID91843372
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
SMILESO=C(CCN1CCSCC1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2OS/c14-11-3-1-2-4-12(11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyVOKFXHBQZNYLKE-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(2-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728822
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
CID 120663779
N-(2-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 33413945

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide (CID 91843372) is N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide is O=C(CCN1CCSCC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide?
The InChIKey is VOKFXHBQZNYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c14-11-3-1-2-4-12(11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide?
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 91843372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).