2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

C14H28NO5PS2 — CID 118262907

IUPAC2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCOP(=S)(OC)SCCOC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C14H28NO5PS2/c1-14(2,5-6-15-7-9-19-10-8-15)13(16)20-11-12-23-21(22,17-3)18-4/h5-12H2,1-4H3
InChIKeyVRCJOYUQBQIJBQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.53
Rot. Bonds10

About 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate

2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (PubChem CID 118262907) has the molecular formula C14H28NO5PS2 and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
PubChem CID118262907
Molecular FormulaC14H28NO5PS2
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
SMILESCOP(=S)(OC)SCCOC(=O)C(C)(C)CCN1CCOCC1
InChIInChI=1S/C14H28NO5PS2/c1-14(2,5-6-15-7-9-19-10-8-15)13(16)20-11-12-23-21(22,17-3)18-4/h5-12H2,1-4H3
InChIKeyVRCJOYUQBQIJBQ-UHFFFAOYSA-N
XLogP2.53
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methylbutoxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232921
2-[(2-methylpropan-2-yl)oxy-methylsulfanylphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 126560039
(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxymethylsulfanyl-methoxyphosphinic acid
CID 145397603
2-[hydroxy(methoxy)phosphoryl]oxyethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134417479
ethane;2-[nitroso(propan-2-yloxy)phosphinoselenoyl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 142489153
2-(2,2-dimethyl-4-morpholin-4-ylbutanoyl)oxyethylsulfanyl-N-methylphosphonamidous acid
CID 145237039
2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118259810
2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 134232893
2-[bis(3-methylpentan-3-yloxy)phosphoryloxy]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 139303195
2-[[2,2-dimethylpropyl-[(2-methylpropan-2-yl)oxy]phosphoryl]amino]ethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 135276580
2-[2,2-dimethyl-4-(4-methylpiperazin-1-yl)butanoyl]oxyethylsulfanylphosphinous acid
CID 145237010
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate (CID 118262907) is 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is COP(=S)(OC)SCCOC(=O)C(C)(C)CCN1CCOCC1.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
The InChIKey is VRCJOYUQBQIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO5PS2/c1-14(2,5-6-15-7-9-19-10-8-15)13(16)20-11-12-23-21(22,17-3)18-4/h5-12H2,1-4H3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate?
2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate has a molecular weight of 385.49 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 118262907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).