4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid

C11H12FN3O3S — CID 114254248

IUPAC4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H12FN3O3S/c12-7-3-8(5-13-4-7)14-11(18)15-1-2-19-6-9(15)10(16)17/h3-5,9H,1-2,6H2,(H,14,18)(H,16,17)
InChIKeySSKTZBWBGOYURB-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.25
Rot. Bonds2

About 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 114254248) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID114254248
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C11H12FN3O3S/c12-7-3-8(5-13-4-7)14-11(18)15-1-2-19-6-9(15)10(16)17/h3-5,9H,1-2,6H2,(H,14,18)(H,16,17)
InChIKeySSKTZBWBGOYURB-UHFFFAOYSA-N
XLogP1.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114254226
4-[(3-fluoro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904708
4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82900784
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904543
(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114222520
(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
CID 129349225
4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82901283
4-[(3-acetylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902218
4-[(4-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904704
4-[(2-cyano-4-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906656
4-[(2,3-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904395
2-[4-[(5-methyl-3-pyridinyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107586090

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 114254248) is 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)Nc1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is SSKTZBWBGOYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c12-7-3-8(5-13-4-7)14-11(18)15-1-2-19-6-9(15)10(16)17/h3-5,9H,1-2,6H2,(H,14,18)(H,16,17).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 114254248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).