imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane

C12H21N4OPS — CID 172744179

IUPACimidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane
SMILESS=P(N1CCCCC1)(N1CCOCC1)n1ccnc1
InChIInChI=1S/C12H21N4OPS/c19-18(16-7-4-13-12-16,14-5-2-1-3-6-14)15-8-10-17-11-9-15/h4,7,12H,1-3,5-6,8-11H2
InChIKeyJMPLFWNLWCVZOA-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.77
Rot. Bonds3

About imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane

imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane (PubChem CID 172744179) has the molecular formula C12H21N4OPS and a molecular weight of 300.37 g/mol. Its IUPAC name is imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameimidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane
PubChem CID172744179
Molecular FormulaC12H21N4OPS
Molecular Weight300.37 g/mol
Exact Mass300.12
IUPAC Nameimidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane
SMILESS=P(N1CCCCC1)(N1CCOCC1)n1ccnc1
InChIInChI=1S/C12H21N4OPS/c19-18(16-7-4-13-12-16,14-5-2-1-3-6-14)15-8-10-17-11-9-15/h4,7,12H,1-3,5-6,8-11H2
InChIKeyJMPLFWNLWCVZOA-UHFFFAOYSA-N
XLogP1.77
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
4-diaminophosphinothioylmorpholine
CID 57020028
dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
CID 171129956
ethane;1-methylimidazole;1-methylpiperidine
CID 142002166
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 559825
2-imidazol-1-yl-2-morpholin-4-ylacetaldehyde
CID 91179200
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
dimorpholin-4-ylphosphinic acid
CID 4193589
4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
CID 172761496
cyclohexyl-methoxy-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 590476
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane (CID 172744179) is imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane is S=P(N1CCCCC1)(N1CCOCC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane?
The InChIKey is JMPLFWNLWCVZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N4OPS/c19-18(16-7-4-13-12-16,14-5-2-1-3-6-14)15-8-10-17-11-9-15/h4,7,12H,1-3,5-6,8-11H2.
What are the key properties of imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane?
imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane has a molecular weight of 300.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-morpholin-4-yl-piperidin-1-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 172744179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).