(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine

C17H20N3O3PS — CID 11864864

IUPAC(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine
SMILESCN(C)c1ccc2c(c1)N=C(c1ccco1)O[P@]2(=S)N1CCOCC1
InChIInChI=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/t24-/m1/s1
InChIKeyWWABCQYCGOTNPE-XMMPIXPASA-N
MW377.41 g/mol
LogP2.72
Rot. Bonds3

About (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine

(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine (PubChem CID 11864864) has the molecular formula C17H20N3O3PS and a molecular weight of 377.41 g/mol. Its IUPAC name is (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine.

Molecular Properties

Compound Name(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine
PubChem CID11864864
Molecular FormulaC17H20N3O3PS
Molecular Weight377.41 g/mol
Exact Mass377.10
IUPAC Name(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine
SMILESCN(C)c1ccc2c(c1)N=C(c1ccco1)O[P@]2(=S)N1CCOCC1
InChIInChI=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/t24-/m1/s1
InChIKeyWWABCQYCGOTNPE-XMMPIXPASA-N
XLogP2.72
TPSA50.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine?
The IUPAC name of (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine (CID 11864864) is (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine.
What is the SMILES notation for (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine?
The canonical SMILES for (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine is CN(C)c1ccc2c(c1)N=C(c1ccco1)O[P@]2(=S)N1CCOCC1.
What is the InChIKey of (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine?
The InChIKey is WWABCQYCGOTNPE-XMMPIXPASA-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/t24-/m1/s1.
What are the key properties of (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine?
(1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-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 (1R)-3-(furan-2-yl)-N,N-dimethyl-1-morpholin-4-yl-1-sulfanylidene-2,4,1λ5-benzoxazaphosphinin-6-amine is sourced from PubChem (CID 11864864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).