(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine

C17H21N2OPS — CID 23262175

IUPAC(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESCN(C)P1(=S)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C17H21N2OPS/c1-18(2)21(22)19(3)16(14-10-6-4-7-11-14)17(20-21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,21?/m1/s1
InChIKeyFAZRMIHOUHIQOR-LXMSXWCSSA-N
MW332.41 g/mol
LogP4.22
Rot. Bonds3

About (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine

(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (PubChem CID 23262175) has the molecular formula C17H21N2OPS and a molecular weight of 332.41 g/mol. Its IUPAC name is (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.

Molecular Properties

Compound Name(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
PubChem CID23262175
Molecular FormulaC17H21N2OPS
Molecular Weight332.41 g/mol
Exact Mass332.11
IUPAC Name(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
SMILESCN(C)P1(=S)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C17H21N2OPS/c1-18(2)21(22)19(3)16(14-10-6-4-7-11-14)17(20-21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,21?/m1/s1
InChIKeyFAZRMIHOUHIQOR-LXMSXWCSSA-N
XLogP4.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.22
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 (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The IUPAC name of (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine (CID 23262175) is (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine.
What is the SMILES notation for (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The canonical SMILES for (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is CN(C)P1(=S)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C.
What is the InChIKey of (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
The InChIKey is FAZRMIHOUHIQOR-LXMSXWCSSA-N. The full InChI is InChI=1S/C17H21N2OPS/c1-18(2)21(22)19(3)16(14-10-6-4-7-11-14)17(20-21)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+,21?/m1/s1.
What are the key properties of (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine?
(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine is sourced from PubChem (CID 23262175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).