cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane

C11H22NOPS — CID 559825

IUPACcyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C11H22NOPS/c1-14(15,11-5-3-2-4-6-11)12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyFLHHHUSMMOHRPF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds2

About cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane

cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 559825) has the molecular formula C11H22NOPS and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namecyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID559825
Molecular FormulaC11H22NOPS
Molecular Weight247.34 g/mol
Exact Mass247.12
IUPAC Namecyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C11H22NOPS/c1-14(15,11-5-3-2-4-6-11)12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyFLHHHUSMMOHRPF-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 559825) is cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane is CP(=S)(C1CCCCC1)N1CCOCC1.
What is the InChIKey of cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is FLHHHUSMMOHRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NOPS/c1-14(15,11-5-3-2-4-6-11)12-7-9-13-10-8-12/h11H,2-10H2,1H3.
What are the key properties of cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane?
cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 247.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).