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

C36H44NOPS — CID 162393755

IUPACN-[(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)NS(=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-RPZJXYERSA-N
MW569.80 g/mol
LogP8.83
Rot. Bonds10

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

N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 162393755) has the molecular formula C36H44NOPS and a molecular weight of 569.80 g/mol. Its IUPAC name is N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID162393755
Molecular FormulaC36H44NOPS
Molecular Weight569.80 g/mol
Exact Mass569.29
IUPAC NameN-[(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)NS(=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-RPZJXYERSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
(R)-N-[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)phenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
CID 155887976
(S)-N-[(1R)-1-[2-(3,5-ditert-butyl-4-methoxyphenyl)phenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
CID 178184062
N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170920760
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 162393755) is 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 N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for 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)NS(=O)C(C)(C)C.
What is the InChIKey of N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RUXRACBSTFDZFD-RPZJXYERSA-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 N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide?
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 N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162393755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).