(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C23H24NOPS — CID 134950360

IUPAC(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOPS/c1-23(2,3)27(25)24-18-19-12-10-11-17-22(19)26(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-18H,1-3H3/b24-18+/t27-/m1/s1
InChIKeyCEWJNABQVQXHHW-WTDOPDLHSA-N
MW393.49 g/mol
LogP4.33
Rot. Bonds5

About (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 134950360) has the molecular formula C23H24NOPS and a molecular weight of 393.49 g/mol. Its IUPAC name is (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID134950360
Molecular FormulaC23H24NOPS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC Name(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOPS/c1-23(2,3)27(25)24-18-19-12-10-11-17-22(19)26(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-18H,1-3H3/b24-18+/t27-/m1/s1
InChIKeyCEWJNABQVQXHHW-WTDOPDLHSA-N
XLogP4.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
2-(Diphenylphosphino)benzaldehyde oxime
CID 15655459
N-{[2-(Diphenylphosphanyl)phenyl]methylidene}hydroxylamine
CID 71317484
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
N-[2-(Diphenylphosphino)benzylidene]hydroxylamine
CID 98043674
(2-Diphenylphosphanylphenyl)methylidene-dimethylazanium;trifluoromethanesulfonate
CID 11397186
(E,E)-N-tritylsulfanylbut-2-en-1-imine
CID 9555627
(E)-N-(diphenylphosphorylmethyl)-1-phenylmethanimine
CID 14703993
N-benzylidene-N-[3-(diphenylphosphino)propyl]amine
CID 5260199
(NE,S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 11106613
(R)-2-methyl-N-(phenylmethylidene)propane-2-sulfinamide
CID 11171822

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 134950360) is (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is CEWJNABQVQXHHW-WTDOPDLHSA-N. The full InChI is InChI=1S/C23H24NOPS/c1-23(2,3)27(25)24-18-19-12-10-11-17-22(19)26(20-13-6-4-7-14-20)21-15-8-5-9-16-21/h4-18H,1-3H3/b24-18+/t27-/m1/s1.
What are the key properties of (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 393.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(2-diphenylphosphanylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134950360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).