2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid

C14H17FN2O3S — CID 66444323

IUPAC2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCc1ccc(F)cc1NC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C14H17FN2O3S/c1-9-2-3-10(15)6-12(9)16-14(20)17-4-5-21-8-11(17)7-13(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyMJEFLAOOHGJRPV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid

2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66444323) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
PubChem CID66444323
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCc1ccc(F)cc1NC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C14H17FN2O3S/c1-9-2-3-10(15)6-12(9)16-14(20)17-4-5-21-8-11(17)7-13(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyMJEFLAOOHGJRPV-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
2-[4-[(2,4-dichlorophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443337
N-(2-chloro-4-fluorophenyl)-3-(hydroxymethyl)thiomorpholine-4-carboxamide
CID 75437498
2-[4-[(3-methylsulfanylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444509
2-[4-[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520694
2-[4-[(5-methyl-3-pyridinyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107586090
2-[4-[(2-cyanophenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443344
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-[4-(4-fluoro-2-methylphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443121
2-[4-[(1-methylpyrazol-4-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66445704
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]thiomorpholin-3-yl]acetic acid
CID 120686600
4-[(2,4-difluorophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82900784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid (CID 66444323) is 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid is Cc1ccc(F)cc1NC(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is MJEFLAOOHGJRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9-2-3-10(15)6-12(9)16-14(20)17-4-5-21-8-11(17)7-13(18)19/h2-3,6,11H,4-5,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).