2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid

C14H18N2O3S — CID 66445341

IUPAC2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1CC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-13(15-11-4-2-1-3-5-11)9-16-6-7-20-10-12(16)8-14(18)19/h1-5,12H,6-10H2,(H,15,17)(H,18,19)
InChIKeyOMGACUKXSWBOCW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid

2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66445341) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid
PubChem CID66445341
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1CC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-13(15-11-4-2-1-3-5-11)9-16-6-7-20-10-12(16)8-14(18)19/h1-5,12H,6-10H2,(H,15,17)(H,18,19)
InChIKeyOMGACUKXSWBOCW-UHFFFAOYSA-N
XLogP1.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-fluoroanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66442954
2-[4-[2-(3-methylanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66444586
2-[4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443588
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443982
2-[4-[2-(methoxycarbonylamino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443403
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
2-[4-[(4-hydroxyphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66420012
2-[4-[(3-methylsulfanylphenyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444509
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid (CID 66445341) is 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is OMGACUKXSWBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(15-11-4-2-1-3-5-11)9-16-6-7-20-10-12(16)8-14(18)19/h1-5,12H,6-10H2,(H,15,17)(H,18,19).
What are the key properties of 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 294.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66445341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).