3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine

C17H20N3O3PS — CID 2320418

About 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine

3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine (PubChem CID 2320418) has the molecular formula C17H20N3O3PS and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine
• PubChem CID: 2320418
• Molecular Formula: C17H20N3O3PS
• Molecular Weight: 377.41 g/mol
• Exact Mass: 377.10
• IUPAC Name: 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine
• SMILES: CN(C)c1ccc2c(c1)N=C(c1ccco1)OP2(=S)N1CCOCC1
• InChI: InChI=1S/C17H20N3O3PS/c1-19(2)13-5-6-16-14(12-13)18-17(15-4-3-9-22-15)23-24(16,25)20-7-10-21-11-8-20/h3-6,9,12H,7-8,10-11H2,1-2H3
• InChIKey: WWABCQYCGOTNPE-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 50.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.41
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine?

The IUPAC name of 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine (CID 2320418) is 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine.

What is the SMILES notation for 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine?

The canonical SMILES for 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine is CN(C)c1ccc2c(c1)N=C(c1ccco1)OP2(=S)N1CCOCC1.

What is the InChIKey of 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine?

The InChIKey is WWABCQYCGOTNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N3O3PS/c1-19(2)13-5-6-16-14(12-13)18-17(15-4-3-9-22-15)23-24(16,25)20-7-10-21-11-8-20/h3-6,9,12H,7-8,10-11H2,1-2H3.

What are the key properties of 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine?

3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine has a molecular weight of 377.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1lambda5-benzoxazaphosphinin-6-amine is sourced from PubChem (CID 2320418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).