4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid

C11H13NO3S2 — CID 78979377

IUPAC4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO3S2/c13-10(5-8-1-3-16-6-8)12-2-4-17-7-9(12)11(14)15/h1,3,6,9H,2,4-5,7H2,(H,14,15)
InChIKeyZFBMQCWJQABSIB-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.32
Rot. Bonds3

About 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid

4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid (PubChem CID 78979377) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
PubChem CID78979377
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO3S2/c13-10(5-8-1-3-16-6-8)12-2-4-17-7-9(12)11(14)15/h1,3,6,9H,2,4-5,7H2,(H,14,15)
InChIKeyZFBMQCWJQABSIB-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
4-[2-(4-ethoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979759
(2S,4R)-4-hydroxy-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxylic acid
CID 28778404
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900693
4-[3-(4-aminophenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82904188
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061
4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82904022
4-[3-(2-chlorophenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 78980263
4-[3-(2-methylphenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901281
1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carbaldehyde
CID 86196085
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid (CID 78979377) is 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)Cc1ccsc1.
What is the InChIKey of 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The InChIKey is ZFBMQCWJQABSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c13-10(5-8-1-3-16-6-8)12-2-4-17-7-9(12)11(14)15/h1,3,6,9H,2,4-5,7H2,(H,14,15).
What are the key properties of 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid?
4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 78979377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).