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

C11H18N2O4S — CID 82904512

IUPAC4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)CC1COCCN1
InChIInChI=1S/C11H18N2O4S/c14-10(5-8-6-17-3-1-12-8)13-2-4-18-7-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeySEZUEGVUFFHLRK-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.61
Rot. Bonds3

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

4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid (PubChem CID 82904512) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
PubChem CID82904512
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)CC1COCCN1
InChIInChI=1S/C11H18N2O4S/c14-10(5-8-6-17-3-1-12-8)13-2-4-18-7-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeySEZUEGVUFFHLRK-UHFFFAOYSA-N
XLogP-0.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(2-morpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429784
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293
4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82904022
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
4-ethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-2-carboxylic acid
CID 114429640
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901485

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid (CID 82904512) is 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)CC1COCCN1.
What is the InChIKey of 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid?
The InChIKey is SEZUEGVUFFHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-10(5-8-6-17-3-1-12-8)13-2-4-18-7-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid?
4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82904512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).