4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid

C12H13FN2O3S — CID 82901283

IUPAC4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-5-6-19-7-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyBIYJEGUDRHDXJI-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.86
Rot. Bonds2

About 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 82901283) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID82901283
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-5-6-19-7-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyBIYJEGUDRHDXJI-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904395
4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82900784
4-[2-(2-fluoroanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82909111
4-[(2-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906447
4-[(3-fluoro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904708
(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95769870
4-[(2-cyano-4-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906656
4-[(2,6-dichlorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906756
4-[(2,5-dichloro-4-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 104727745
4-[(3-acetylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902218
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
4-[(4-bromo-2-ethylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906247

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 82901283) is 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)Nc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is BIYJEGUDRHDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c13-8-3-1-2-4-9(8)14-12(18)15-5-6-19-7-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82901283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).