2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide

C12H22N2O4S — CID 95598732

IUPAC2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide
SMILESCOCCOCC(=O)N[C@H](C)C(=O)N1CCSCC1
InChIInChI=1S/C12H22N2O4S/c1-10(12(16)14-3-7-19-8-4-14)13-11(15)9-18-6-5-17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyDIICAKLFRMGUOX-SNVBAGLBSA-N
MW290.39 g/mol
LogP-0.27
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide

2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide (PubChem CID 95598732) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide
PubChem CID95598732
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide
SMILESCOCCOCC(=O)N[C@H](C)C(=O)N1CCSCC1
InChIInChI=1S/C12H22N2O4S/c1-10(12(16)14-3-7-19-8-4-14)13-11(15)9-18-6-5-17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyDIICAKLFRMGUOX-SNVBAGLBSA-N
XLogP-0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.27
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 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide (CID 95598732) is 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide is COCCOCC(=O)N[C@H](C)C(=O)N1CCSCC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide?
The InChIKey is DIICAKLFRMGUOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-10(12(16)14-3-7-19-8-4-14)13-11(15)9-18-6-5-17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide?
2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide has a molecular weight of 290.39 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]acetamide is sourced from PubChem (CID 95598732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).