hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane

C8H18NO3PS — CID 159762198

IUPAChydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
SMILESCOC[C@@H]1CN(P(C)(O)=S)C[C@H](C)O1
InChIInChI=1S/C8H18NO3PS/c1-7-4-9(13(3,10)14)5-8(12-7)6-11-2/h7-8H,4-6H2,1-3H3,(H,10,14)/t7-,8-,13?/m0/s1
InChIKeyWAWQGLMPXAPZGW-UDUUBDRPSA-N
MW239.28 g/mol
LogP0.65
Rot. Bonds3

About hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane

hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane (PubChem CID 159762198) has the molecular formula C8H18NO3PS and a molecular weight of 239.28 g/mol. Its IUPAC name is hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
PubChem CID159762198
Molecular FormulaC8H18NO3PS
Molecular Weight239.28 g/mol
Exact Mass239.07
IUPAC Namehydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane
SMILESCOC[C@@H]1CN(P(C)(O)=S)C[C@H](C)O1
InChIInChI=1S/C8H18NO3PS/c1-7-4-9(13(3,10)14)5-8(12-7)6-11-2/h7-8H,4-6H2,1-3H3,(H,10,14)/t7-,8-,13?/m0/s1
InChIKeyWAWQGLMPXAPZGW-UDUUBDRPSA-N
XLogP0.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066306
(2S,6R)-2-(methoxymethyl)-6-methylmorpholine
CID 95252382
hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
CID 58592407
CID 158925058
CID 158925058
CID 158444799
CID 158444799
(2S,6S)-2-(methoxymethyl)-6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholine
CID 100654312
2,5-bis(methoxymethyl)oxolane
CID 57041378
[4-[amino-[(6-methylmorpholin-2-yl)methoxy]phosphoryl]-6-methylmorpholin-2-yl]methanol
CID 22969304
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
N-[(4,6-dimethylmorpholin-2-yl)methoxy-[2-methyl-6-(2-methylpropyl)morpholin-4-yl]phosphoryl]-N-methylmethanamine
CID 135178519
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane (CID 159762198) is hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane is COC[C@@H]1CN(P(C)(O)=S)C[C@H](C)O1.
What is the InChIKey of hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is WAWQGLMPXAPZGW-UDUUBDRPSA-N. The full InChI is InChI=1S/C8H18NO3PS/c1-7-4-9(13(3,10)14)5-8(12-7)6-11-2/h7-8H,4-6H2,1-3H3,(H,10,14)/t7-,8-,13?/m0/s1.
What are the key properties of hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane?
hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 239.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2S,6S)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 159762198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).