O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate

C9H15NO3S2 — CID 44543254

IUPACO-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO3S2/c1-2-13-9(14)15-7-8(11)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyQOOPBKJTSFMQNC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.90
Rot. Bonds3

About O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate

O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate (PubChem CID 44543254) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate
PubChem CID44543254
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC NameO-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO3S2/c1-2-13-9(14)15-7-8(11)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyQOOPBKJTSFMQNC-UHFFFAOYSA-N
XLogP0.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-ethoxycarbothioylsulfanylacetyl)piperazine-1-carboxylate
CID 10860189
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
[(2-ethoxycarbothioylsulfanylacetyl)-methylamino] acetate
CID 87813381
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121

Frequently Asked Questions

What is the IUPAC name of O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate?
The IUPAC name of O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate (CID 44543254) is O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate.
What is the SMILES notation for O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate?
The canonical SMILES for O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate is CCOC(=S)SCC(=O)N1CCOCC1.
What is the InChIKey of O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate?
The InChIKey is QOOPBKJTSFMQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-2-13-9(14)15-7-8(11)10-3-5-12-6-4-10/h2-7H2,1H3.
What are the key properties of O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate?
O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate has a molecular weight of 249.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl (2-morpholin-4-yl-2-oxoethyl)sulfanylmethanethioate is sourced from PubChem (CID 44543254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).