(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

C13H22N3O2PS — CID 1203405

IUPAC(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCn1cccc1P(=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H22N3O2PS/c1-14-4-2-3-13(14)19(20,15-5-9-17-10-6-15)16-7-11-18-12-8-16/h2-4H,5-12H2,1H3
InChIKeyMNXPFQJVLFORPP-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.62
Rot. Bonds3

About (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane

(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (PubChem CID 1203405) has the molecular formula C13H22N3O2PS and a molecular weight of 315.38 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
PubChem CID1203405
Molecular FormulaC13H22N3O2PS
Molecular Weight315.38 g/mol
Exact Mass315.12
IUPAC Name(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
SMILESCn1cccc1P(=S)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H22N3O2PS/c1-14-4-2-3-13(14)19(20,15-5-9-17-10-6-15)16-7-11-18-12-8-16/h2-4H,5-12H2,1H3
InChIKeyMNXPFQJVLFORPP-UHFFFAOYSA-N
XLogP0.62
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane (CID 1203405) is (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is Cn1cccc1P(=S)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is MNXPFQJVLFORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N3O2PS/c1-14-4-2-3-13(14)19(20,15-5-9-17-10-6-15)16-7-11-18-12-8-16/h2-4H,5-12H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane?
(1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 315.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 1203405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).