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

C12H22N2O4S — CID 56801877

IUPAC2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
SMILESCOCCOCC(=O)NC(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)
InChIKeyDIICAKLFRMGUOX-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.27
Rot. Bonds7

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

2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide (PubChem CID 56801877) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
PubChem CID56801877
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
SMILESCOCCOCC(=O)NC(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)
InChIKeyDIICAKLFRMGUOX-UHFFFAOYSA-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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Related Compounds

4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-1,3-thiazolidine-4-carboxamide
CID 10295875
3-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-1,3-thiazolidine-4-carboxamide
CID 23503503
N-[(2R)-1-morpholin-4-yl-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 24952536
2-amino-N-[2-[2-[2-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 58785832
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
S-[2-[ethyl-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]amino]ethyl] ethanethioate
CID 88182003
(2S)-2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanamide
CID 124094294
(2R)-2-acetamido-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 129145712
2-[[2-[2-(3-Methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 153389540
(2S)-2-[[2-(2-butoxyethoxy)acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 153389541
(2R)-2-[[2-[2-(3-methylbutoxy)ethoxy]acetyl]amino]-3-propan-2-ylsulfanylpropanamide
CID 160980744

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide (CID 56801877) is 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide is COCCOCC(=O)NC(C)C(=O)N1CCSCC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is DIICAKLFRMGUOX-UHFFFAOYSA-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).
What are the key properties of 2-(2-methoxyethoxy)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide?
2-(2-methoxyethoxy)-N-(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-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 56801877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).