ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate

C10H17NO3S — CID 102474197

IUPACethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
SMILESCCOC(=O)CCC(=S)N1CCOCC1
InChIInChI=1S/C10H17NO3S/c1-2-14-10(12)4-3-9(15)11-5-7-13-8-6-11/h2-8H2,1H3
InChIKeyNEQPPIAXFUWLSC-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.99
Rot. Bonds4

About ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate

ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate (PubChem CID 102474197) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
PubChem CID102474197
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Nameethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
SMILESCCOC(=O)CCC(=S)N1CCOCC1
InChIInChI=1S/C10H17NO3S/c1-2-14-10(12)4-3-9(15)11-5-7-13-8-6-11/h2-8H2,1H3
InChIKeyNEQPPIAXFUWLSC-UHFFFAOYSA-N
XLogP0.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.99
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 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate
CID 44543254
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
1-morpholin-4-yldodecane-1-thione
CID 10379215
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
4-morpholin-4-yl-4-sulfanylidenebutan-2-one
CID 126484570
ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
CID 12716081
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate?
The IUPAC name of ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate (CID 102474197) is ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate?
The canonical SMILES for ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate is CCOC(=O)CCC(=S)N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate?
The InChIKey is NEQPPIAXFUWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-2-14-10(12)4-3-9(15)11-5-7-13-8-6-11/h2-8H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate?
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate has a molecular weight of 231.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate is sourced from PubChem (CID 102474197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).