N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide

C25H30NOPS — CID 156599802

IUPACN-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)C(C)(C)C
InChIInChI=1S/C25H30NOPS/c1-25(2,3)29(27)26(4)24(21-14-8-5-9-15-21)20-28(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,20H2,1-4H3/t24-,29?/m1/s1
InChIKeyOUMOIKKJQPXFKP-OEXUWWALSA-N
MW423.56 g/mol
LogP5.25
Rot. Bonds7

About N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 156599802) has the molecular formula C25H30NOPS and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID156599802
Molecular FormulaC25H30NOPS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC NameN-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)C(C)(C)C
InChIInChI=1S/C25H30NOPS/c1-25(2,3)29(27)26(4)24(21-14-8-5-9-15-21)20-28(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,20H2,1-4H3/t24-,29?/m1/s1
InChIKeyOUMOIKKJQPXFKP-OEXUWWALSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide (CID 156599802) is N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)S(=O)C(C)(C)C.
What is the InChIKey of N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is OUMOIKKJQPXFKP-OEXUWWALSA-N. The full InChI is InChI=1S/C25H30NOPS/c1-25(2,3)29(27)26(4)24(21-14-8-5-9-15-21)20-28(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,20H2,1-4H3/t24-,29?/m1/s1.
What are the key properties of N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 423.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 156599802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).