methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate

C12H21NO5S — CID 79806978

IUPACmethyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
SMILESCOCCSCC(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C12H21NO5S/c1-16-5-6-19-9-11(14)13-3-4-18-10(8-13)7-12(15)17-2/h10H,3-9H2,1-2H3
InChIKeyYSTGACZTXHKTBB-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.16
Rot. Bonds7

About methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate (PubChem CID 79806978) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
PubChem CID79806978
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Namemethyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
SMILESCOCCSCC(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C12H21NO5S/c1-16-5-6-19-9-11(14)13-3-4-18-10(8-13)7-12(15)17-2/h10H,3-9H2,1-2H3
InChIKeyYSTGACZTXHKTBB-UHFFFAOYSA-N
XLogP0.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate (CID 79806978) is methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate is COCCSCC(=O)N1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate?
The InChIKey is YSTGACZTXHKTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-16-5-6-19-9-11(14)13-3-4-18-10(8-13)7-12(15)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate has a molecular weight of 291.37 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79806978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).