4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid

C10H19NO4S — CID 82909368

IUPAC4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
SMILESCOCCOCCN1CCSCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-14-5-6-15-4-2-11-3-7-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyVCAAOSIPHGDTQT-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.15
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid

4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid (PubChem CID 82909368) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
PubChem CID82909368
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
SMILESCOCCOCCN1CCSCC1C(=O)O
InChIInChI=1S/C10H19NO4S/c1-14-5-6-15-4-2-11-3-7-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyVCAAOSIPHGDTQT-UHFFFAOYSA-N
XLogP0.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid (CID 82909368) is 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid is COCCOCCN1CCSCC1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid?
The InChIKey is VCAAOSIPHGDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-14-5-6-15-4-2-11-3-7-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid?
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82909368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).