3-(4-fluorophenyl)thiomorpholine-4-carboxamide

C11H13FN2OS — CID 177255572

IUPAC3-(4-fluorophenyl)thiomorpholine-4-carboxamide
SMILESNC(=O)N1CCSCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)10-7-16-6-5-14(10)11(13)15/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyOZDZXHMHDGYZBU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.99
Rot. Bonds1

About 3-(4-fluorophenyl)thiomorpholine-4-carboxamide

3-(4-fluorophenyl)thiomorpholine-4-carboxamide (PubChem CID 177255572) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)thiomorpholine-4-carboxamide
PubChem CID177255572
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name3-(4-fluorophenyl)thiomorpholine-4-carboxamide
SMILESNC(=O)N1CCSCC1c1ccc(F)cc1
InChIInChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)10-7-16-6-5-14(10)11(13)15/h1-4,10H,5-7H2,(H2,13,15)
InChIKeyOZDZXHMHDGYZBU-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-((dimethylamino)methyl)-N-(4-fluorobenzyl)-1,4-thiazepane-4-carboxamide
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2-[2-[Cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 72009864
N-(p-fluorophenyl)methyl-(S)-7-phenyl-1,4-thiazepane-4-carboxamide
CID 99903870
4-benzyl-N-(3-methylsulfanylpropyl)piperazine-1-carboxamide
CID 172437883
1-(3,4-Dihydro-2h-thiochromen-4-yl)-3-(2-fluoroethyl)urea
CID 274897
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-(methylthio)acetamide
CID 45184081
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
CID 71862958
(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide
CID 95772292
N-(3-fluorobenzyl)-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxamide 2,2-dioxide
CID 122245313
N-[2-(ethylsulfonyl)ethyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 124205419
N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 124618033

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)thiomorpholine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)thiomorpholine-4-carboxamide (CID 177255572) is 3-(4-fluorophenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)thiomorpholine-4-carboxamide is NC(=O)N1CCSCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)thiomorpholine-4-carboxamide?
The InChIKey is OZDZXHMHDGYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-3-1-8(2-4-9)10-7-16-6-5-14(10)11(13)15/h1-4,10H,5-7H2,(H2,13,15).
What are the key properties of 3-(4-fluorophenyl)thiomorpholine-4-carboxamide?
3-(4-fluorophenyl)thiomorpholine-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 177255572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).