(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide

C36H44NOPS — CID 155293945

IUPAC(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)c1cccc(C(C)C)c1-c1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C36H44NOPS/c1-26(2)30-23-16-24-31(27(3)4)35(30)33-22-15-14-21-32(33)34(37-40(38)36(5,6)7)25-39(28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-24,26-27,34,37H,25H2,1-7H3/t34-,40-/m1/s1
InChIKeyRUXRACBSTFDZFD-QLKHQFKLSA-N
MW569.80 g/mol
LogP8.83
Rot. Bonds10

About (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 155293945) has the molecular formula C36H44NOPS and a molecular weight of 569.80 g/mol. Its IUPAC name is (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID155293945
Molecular FormulaC36H44NOPS
Molecular Weight569.80 g/mol
Exact Mass569.29
IUPAC Name(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)c1cccc(C(C)C)c1-c1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C36H44NOPS/c1-26(2)30-23-16-24-31(27(3)4)35(30)33-22-15-14-21-32(33)34(37-40(38)36(5,6)7)25-39(28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-24,26-27,34,37H,25H2,1-7H3/t34-,40-/m1/s1
InChIKeyRUXRACBSTFDZFD-QLKHQFKLSA-N
XLogP8.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.80
LogP ≤ 58.83
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

(R)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]propane-2-sulfinamide
CID 134843168
2-methyl-N-[1-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]ethyl]propane-2-sulfinamide
CID 155160256
(R)-2-methyl-N-[(S)-phenyl-(2-propan-2-ylphenyl)methyl]propane-2-sulfinamide
CID 46187788
(R)-N-((S)-(2-(diphenylphosphaneyl)phenyl)(naphthalen-1-yl)methyl)-2-methylpropane-2-sulfinamide
CID 134950361
(S)-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]propane-2-sulfinamide
CID 134954895
(R)-N-((R)-1-(2-(Diphenylphosphaneyl)phenyl)-2,2-dimethylpropyl)-2-methylpropane-2-sulfinamide
CID 134959642
[S(R)]-N-[(1S)-1-[2-(9-Anthracenyl)phenyl]-2-(diphenylphosphino)ethyl]-N,2-dimethyl-2-propanesulfinamide
CID 139187178
(R)-2-methyl-N-[(E,1R)-3-phenyl-1-(2-phenylphenyl)prop-2-enyl]propane-2-sulfinamide
CID 146164224
(R)-N-[(S)-(4-tert-butylphenyl)-(4,5-dimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 149106118
(R)-2-methyl-N-[(1S)-1-naphthalen-1-ylpropyl]propane-2-sulfinamide
CID 154720060
(R)-N-((S)-1-(2',6'-Diisopropyl-[1,1'-biphenyl]-2-yl)-2-(diphenylphosphanyl)ethyl)-2-methylpropane-2-sulfinamide
CID 162393755
N-[(4-tert-butylphenyl)-(4,5-dimethyl-3,6-diphenyl-1-phosphabicyclo[2.2.1]hepta-2,5-dien-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 162401683

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 155293945) is (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(C)c1cccc(C(C)C)c1-c1ccccc1[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RUXRACBSTFDZFD-QLKHQFKLSA-N. The full InChI is InChI=1S/C36H44NOPS/c1-26(2)30-23-16-24-31(27(3)4)35(30)33-22-15-14-21-32(33)34(37-40(38)36(5,6)7)25-39(28-17-10-8-11-18-28)29-19-12-9-13-20-29/h8-24,26-27,34,37H,25H2,1-7H3/t34-,40-/m1/s1.
What are the key properties of (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 569.80 g/mol, XLogP of 8.83, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155293945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).