dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane

C8H16N2O2PS2- — CID 171129956

IUPACdimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
SMILESS=P([S-])(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H17N2O2PS2/c14-13(15,9-1-5-11-6-2-9)10-3-7-12-8-4-10/h1-8H2,(H,14,15)/p-1
InChIKeyPBJOIQWITLIFKU-UHFFFAOYSA-M
MW267.34 g/mol
LogP0.42
Rot. Bonds2

About dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane

dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 171129956) has the molecular formula C8H16N2O2PS2- and a molecular weight of 267.34 g/mol. Its IUPAC name is dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namedimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
PubChem CID171129956
Molecular FormulaC8H16N2O2PS2-
Molecular Weight267.34 g/mol
Exact Mass267.04
IUPAC Namedimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
SMILESS=P([S-])(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H17N2O2PS2/c14-13(15,9-1-5-11-6-2-9)10-3-7-12-8-4-10/h1-8H2,(H,14,15)/p-1
InChIKeyPBJOIQWITLIFKU-UHFFFAOYSA-M
XLogP0.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

4-diaminophosphinothioylmorpholine
CID 57020028
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
dimorpholin-4-ylphosphinic acid
CID 4193589
cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 559825
cyclohexyl-methoxy-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 590476
dihydroxy-morpholin-4-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 57206002
imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane
CID 172744179
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
morpholin-4-ylphosphonous acid
CID 45122822
(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
CID 3581699
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103

Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane (CID 171129956) is dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane is S=P([S-])(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is PBJOIQWITLIFKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17N2O2PS2/c14-13(15,9-1-5-11-6-2-9)10-3-7-12-8-4-10/h1-8H2,(H,14,15)/p-1.
What are the key properties of dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane?
dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 267.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 171129956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).