methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

C9H19N2O2PS — CID 2506566

IUPACmethyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H19N2O2PS/c1-14(15,10-2-6-12-7-3-10)11-4-8-13-9-5-11/h2-9H2,1H3
InChIKeyQPKUTTHXFZQBRF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds2

About methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 2506566) has the molecular formula C9H19N2O2PS and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID2506566
Molecular FormulaC9H19N2O2PS
Molecular Weight250.30 g/mol
Exact Mass250.09
IUPAC Namemethyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H19N2O2PS/c1-14(15,10-2-6-12-7-3-10)11-4-8-13-9-5-11/h2-9H2,1H3
InChIKeyQPKUTTHXFZQBRF-UHFFFAOYSA-N
XLogP0.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 2506566) is methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is CP(=S)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is QPKUTTHXFZQBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2PS/c1-14(15,10-2-6-12-7-3-10)11-4-8-13-9-5-11/h2-9H2,1H3.
What are the key properties of methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 250.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2506566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).