ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate

C10H15NO4S2 — CID 5214010

IUPACethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate
SMILESCCOC(=O)CSC(=S)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO4S2/c1-2-15-8(12)7-17-10(16)9(13)11-3-5-14-6-4-11/h2-7H2,1H3
InChIKeyCPHKZRPPFWSWGF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds3

About ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate

ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate (PubChem CID 5214010) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate
PubChem CID5214010
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Nameethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate
SMILESCCOC(=O)CSC(=S)C(=O)N1CCOCC1
InChIInChI=1S/C10H15NO4S2/c1-2-15-8(12)7-17-10(16)9(13)11-3-5-14-6-4-11/h2-7H2,1H3
InChIKeyCPHKZRPPFWSWGF-UHFFFAOYSA-N
XLogP0.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate (CID 5214010) is ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate is CCOC(=O)CSC(=S)C(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate?
The InChIKey is CPHKZRPPFWSWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-2-15-8(12)7-17-10(16)9(13)11-3-5-14-6-4-11/h2-7H2,1H3.
What are the key properties of ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate?
ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate has a molecular weight of 277.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-morpholin-4-yl-2-oxoethanethioyl)sulfanylacetate is sourced from PubChem (CID 5214010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).