ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate

C9H15NO3S — CID 131855286

IUPACethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N1CCOCC1
InChIInChI=1S/C9H15NO3S/c1-2-13-9(11)7-8(14)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyLEALUKSLCDAEHA-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.60
Rot. Bonds3

About ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate

ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate (PubChem CID 131855286) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
PubChem CID131855286
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Nameethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N1CCOCC1
InChIInChI=1S/C9H15NO3S/c1-2-13-9(11)7-8(14)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyLEALUKSLCDAEHA-UHFFFAOYSA-N
XLogP0.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, methyl ester
CID 101373
Methyl 3-morpholin-4-ylpropanoate;hydrochloride
CID 12425580
Methyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 10655772
Hoipucinukukmn-uhfffaoysa-
CID 11117425
Ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
CID 12716081
Ethyl 2-morpholin-4-yl-2-sulfanylideneacetate
CID 13552335
Trimethyl-[2-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]ethyl]azanium
CID 3029480
Butyl 3-morpholin-4-ylpropanoate
CID 12425581
Methyl 3-(4-methylmorpholin-4-ium-4-yl)propanoate
CID 12425593
Ethyl 3-(2-oxo-1,3,4-oxathiazinan-4-yl)propanoate
CID 20267825
Propyl 3-morpholin-4-ylpropanoate
CID 20529310

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate?
The IUPAC name of ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate (CID 131855286) is ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate?
The canonical SMILES for ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate is CCOC(=O)CC(=S)N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate?
The InChIKey is LEALUKSLCDAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-13-9(11)7-8(14)10-3-5-12-6-4-10/h2-7H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate?
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate has a molecular weight of 217.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate is sourced from PubChem (CID 131855286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).