(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

C27H34NOPS — CID 134959642

IUPAC(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34NOPS/c1-26(2,3)25(28-31(29)27(4,5)6)23-19-13-14-20-24(23)30(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25,28H,1-6H3/t25-,31+/m0/s1
InChIKeyOMJJGAYXCQDARO-VVFBEHOQSA-N
MW451.62 g/mol
LogP5.58
Rot. Bonds6

About (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 134959642) has the molecular formula C27H34NOPS and a molecular weight of 451.62 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID134959642
Molecular FormulaC27H34NOPS
Molecular Weight451.62 g/mol
Exact Mass451.21
IUPAC Name(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34NOPS/c1-26(2,3)25(28-31(29)27(4,5)6)23-19-13-14-20-24(23)30(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25,28H,1-6H3/t25-,31+/m0/s1
InChIKeyOMJJGAYXCQDARO-VVFBEHOQSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 57514668
(1R)-N-diphenylphosphoryl-1-[(1R,2S)-2-ethenyl-1-methylcyclopropyl]-1-phenylmethanamine
CID 5461301
N-Benzhydryl-4-methylbenzenesulfonamide
CID 602705
(R)-1-(2-(Diphenylphosphino)phenyl)ethanamine
CID 71463645
(E,1R)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
CID 44592612
N-benzhydrylbenzenesulfonamide
CID 711029
(E)-N-diphenylphosphoryl-1-phenyl-2-propylhex-2-en-1-amine
CID 5771856
(R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 134945670
(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine
CID 101233788
(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide
CID 68517751
(R)-2-phenyl-N-[(1S)-1-phenylbut-3-enyl]propane-2-sulfinamide
CID 71664067
N-[(R)-(4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 101559866

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (CID 134959642) is (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OMJJGAYXCQDARO-VVFBEHOQSA-N. The full InChI is InChI=1S/C27H34NOPS/c1-26(2,3)25(28-31(29)27(4,5)6)23-19-13-14-20-24(23)30(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-20,25,28H,1-6H3/t25-,31+/m0/s1.
What are the key properties of (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 451.62 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(2-diphenylphosphanylphenyl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134959642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).