2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate

C8H12NO4S- — CID 5051314

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate
SMILESO=C([O-])CSCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12)/p-1
InChIKeyULQYCYTYVTVVBO-UHFFFAOYSA-M
MW218.25 g/mol
LogP-1.67
Rot. Bonds4

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate

2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate (PubChem CID 5051314) has the molecular formula C8H12NO4S- and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate
PubChem CID5051314
Molecular FormulaC8H12NO4S-
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate
SMILESO=C([O-])CSCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12)/p-1
InChIKeyULQYCYTYVTVVBO-UHFFFAOYSA-M
XLogP-1.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[2-(Morpholin-4-yl)-2-oxoethyl]sulfanyl}acetic acid
CID 752696
InChI=1/C8H13NO3S/c1-2-12-8(11)5-9-3-4-13-6-7(9)10/h2-6H2,1H
CID 14941169
Ethyl {[2-(4-morpholinyl)-2-oxoethanethioyl]thio}acetate
CID 5214010
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
2-Methylsulfanyl-1-morpholin-4-ylethanone
CID 20552968
2-Thiomorpholin-4-ylethyl acetate
CID 57977293
Methyl 2-(3-oxothiomorpholin-4-yl)acetate
CID 86242072
1-[2-(Trimethyl-lambda4-sulfanyl)morpholin-4-yl]ethanone
CID 134581118
Ethyl 2-(3-oxothiomorpholin-4-yl)propanoate
CID 145803161
2-(3-Oxothiomorpholin-4-yl)ethyl acetate
CID 154261769
2-[2-Acetyloxyethyl-[2-[2-(dimethylamino)ethylsulfanyl]acetyl]amino]ethyl acetate
CID 162529585
Methyl 2-methylsulfanylmorpholine-4-carboxylate
CID 166684130

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate (CID 5051314) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate is O=C([O-])CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate?
The InChIKey is ULQYCYTYVTVVBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12)/p-1.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate has a molecular weight of 218.25 g/mol, XLogP of -1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate is sourced from PubChem (CID 5051314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).