(2R,3S)-2-diphenylphosphoryl-3-methylaziridine

C15H16NOP — CID 10753618

IUPAC(2R,3S)-2-diphenylphosphoryl-3-methylaziridine
SMILESC[C@@H]1N[C@@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16NOP/c1-12-15(16-12)18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+/m0/s1
InChIKeyHWNAZOLOCQIKJE-SWLSCSKDSA-N
MW257.27 g/mol
LogP2.32
Rot. Bonds3

About (2R,3S)-2-diphenylphosphoryl-3-methylaziridine

(2R,3S)-2-diphenylphosphoryl-3-methylaziridine (PubChem CID 10753618) has the molecular formula C15H16NOP and a molecular weight of 257.27 g/mol. Its IUPAC name is (2R,3S)-2-diphenylphosphoryl-3-methylaziridine.

Molecular Properties

Compound Name(2R,3S)-2-diphenylphosphoryl-3-methylaziridine
PubChem CID10753618
Molecular FormulaC15H16NOP
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name(2R,3S)-2-diphenylphosphoryl-3-methylaziridine
SMILESC[C@@H]1N[C@@H]1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16NOP/c1-12-15(16-12)18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+/m0/s1
InChIKeyHWNAZOLOCQIKJE-SWLSCSKDSA-N
XLogP2.32
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aziridin-1-yldiphenylphosphine oxide
CID 5082415
(2S,3S)-3-diphenylphosphoryl-2-methylaziridine-2-carbonitrile
CID 155518760
(2S,3S)-3-diphenylphosphoryl-2-ethylaziridine-2-carbonitrile
CID 155531740
N-isopropyl-1,1-diphenylphosphanamine
CID 12809835
1-(Diphenylphosphinyl)-N-methyl-methanamine
CID 11128563
Phenyl-[1-(propan-2-ylamino)ethyl]phosphinic acid
CID 12596029
3-(Diphenylphosphoroso)propan-1-amine
CID 11230689
2-(Diphenylphosphoryl)ethan-1-amine
CID 71361076
N-ethyl-N-(diphenylphosphinylmethyl)amine
CID 166606759
Phosphinic amide, N-ethyl-P,P-diphenyl-
CID 1520888
1-diphenylphosphoryl-N-propan-2-ylmethanethioamide
CID 2776746
N-methyl-N-[2-(diphenylphosphoryl)ethyl]amine
CID 3272265

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-diphenylphosphoryl-3-methylaziridine?
The IUPAC name of (2R,3S)-2-diphenylphosphoryl-3-methylaziridine (CID 10753618) is (2R,3S)-2-diphenylphosphoryl-3-methylaziridine.
What is the SMILES notation for (2R,3S)-2-diphenylphosphoryl-3-methylaziridine?
The canonical SMILES for (2R,3S)-2-diphenylphosphoryl-3-methylaziridine is C[C@@H]1N[C@@H]1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-diphenylphosphoryl-3-methylaziridine?
The InChIKey is HWNAZOLOCQIKJE-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H16NOP/c1-12-15(16-12)18(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12-,15+/m0/s1.
What are the key properties of (2R,3S)-2-diphenylphosphoryl-3-methylaziridine?
(2R,3S)-2-diphenylphosphoryl-3-methylaziridine has a molecular weight of 257.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-diphenylphosphoryl-3-methylaziridine is sourced from PubChem (CID 10753618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).