(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine

C23H24NO2PS — CID 101060279

IUPAC(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine
SMILESCC[C@H]1[C@@H](P(=O)(c2ccccc2)c2ccccc2)N1S(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24NO2PS/c1-3-22-23(24(22)28(26)21-16-14-18(2)15-17-21)27(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,22-23H,3H2,1-2H3/t22-,23+,24?,28?/m0/s1
InChIKeyOOPFFMCLOJNWMY-ZONGWSEBSA-N
MW409.49 g/mol
LogP4.45
Rot. Bonds6

About (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine

(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine (PubChem CID 101060279) has the molecular formula C23H24NO2PS and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine.

Molecular Properties

Compound Name(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine
PubChem CID101060279
Molecular FormulaC23H24NO2PS
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine
SMILESCC[C@H]1[C@@H](P(=O)(c2ccccc2)c2ccccc2)N1S(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24NO2PS/c1-3-22-23(24(22)28(26)21-16-14-18(2)15-17-21)27(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,22-23H,3H2,1-2H3/t22-,23+,24?,28?/m0/s1
InChIKeyOOPFFMCLOJNWMY-ZONGWSEBSA-N
XLogP4.45
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
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

(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane
CID 15372235
3,4-bis(diphenylphosphoryl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 170695122
(3S,4R)-1-benzhydryl-3-ethyl-4-(4-methylphenyl)sulfinylazetidin-2-one
CID 10644871
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
(2R)-3-cyclopropyl-1-[(R)-(4-methylphenyl)sulfinyl]aziridine-2-carbaldehyde
CID 166496998
(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
CID 122388943
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
ethyl (2R,6R)-4-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728740
2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine
CID 164683445
1-[(S)-(4-methylphenyl)sulfinyl]-2-[(E)-2-phenylethenyl]aziridine
CID 134925711
(4S)-4-benzyl-3-(4-methylphenyl)sulfinyl-1,3-oxazolidine-2-thione
CID 132608733
(2S,3R)-2-diethoxyphosphoryl-3-ethyl-1-(4-methylphenyl)sulfonylaziridine
CID 15473727

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine?
The IUPAC name of (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine (CID 101060279) is (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine.
What is the SMILES notation for (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine?
The canonical SMILES for (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine is CC[C@H]1[C@@H](P(=O)(c2ccccc2)c2ccccc2)N1S(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine?
The InChIKey is OOPFFMCLOJNWMY-ZONGWSEBSA-N. The full InChI is InChI=1S/C23H24NO2PS/c1-3-22-23(24(22)28(26)21-16-14-18(2)15-17-21)27(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,22-23H,3H2,1-2H3/t22-,23+,24?,28?/m0/s1.
What are the key properties of (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine?
(2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine has a molecular weight of 409.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-diphenylphosphoryl-3-ethyl-1-(4-methylphenyl)sulfinylaziridine is sourced from PubChem (CID 101060279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).