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

C11H20N2O3S — CID 82906797

IUPAC4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1CCN1CCOCC1
InChIInChI=1S/C11H20N2O3S/c14-11(15)10-9-17-8-5-13(10)2-1-12-3-6-16-7-4-12/h10H,1-9H2,(H,14,15)
InChIKeyMFWXJIPCEXCNBW-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.18
Rot. Bonds4

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

4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid (PubChem CID 82906797) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
PubChem CID82906797
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1CCN1CCOCC1
InChIInChI=1S/C11H20N2O3S/c14-11(15)10-9-17-8-5-13(10)2-1-12-3-6-16-7-4-12/h10H,1-9H2,(H,14,15)
InChIKeyMFWXJIPCEXCNBW-UHFFFAOYSA-N
XLogP-0.18
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-morpholin-4-ylethyl)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-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
CID 82905755
4-(3-methylbut-3-enyl)thiomorpholine-3-carboxylic acid
CID 114473231
4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
CID 114525954
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
4-(3-methylsulfonylpropyl)thiomorpholine-3-carboxylic acid
CID 82905864
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727669
4-(2-tert-butylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727671
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779442
4-(4-cyano-4-methylpentyl)thiomorpholine-3-carboxylic acid
CID 82906395
4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
CID 82909197
4-[(5-methylfuran-2-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82906613

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid (CID 82906797) is 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1CCN1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid?
The InChIKey is MFWXJIPCEXCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-11(15)10-9-17-8-5-13(10)2-1-12-3-6-16-7-4-12/h10H,1-9H2,(H,14,15).
What are the key properties of 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid?
4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82906797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).