N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

C25H30NOPS — CID 162393817

IUPACN-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C25H30NOPS/c1-20(26(5)29(27)25(2,3)4)23-18-12-13-19-24(23)28(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-20H,1-5H3/t20-,29?/m1/s1
InChIKeyLXWTWAWYYSDHRN-CUXXENAFSA-N
MW423.56 g/mol
LogP4.90
Rot. Bonds6

About N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 162393817) has the molecular formula C25H30NOPS and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID162393817
Molecular FormulaC25H30NOPS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC NameN-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C25H30NOPS/c1-20(26(5)29(27)25(2,3)4)23-18-12-13-19-24(23)28(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-20H,1-5H3/t20-,29?/m1/s1
InChIKeyLXWTWAWYYSDHRN-CUXXENAFSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293926
(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163355351
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839
(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 53243365
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
N-[(R)-(6-diphenylphosphanyl-1,3-benzodioxol-5-yl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155885272
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922
N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
(R)-N-[(1R)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163340342
N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599802
N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599796
N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154725985

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (CID 162393817) is N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is C[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)S(=O)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is LXWTWAWYYSDHRN-CUXXENAFSA-N. The full InChI is InChI=1S/C25H30NOPS/c1-20(26(5)29(27)25(2,3)4)23-18-12-13-19-24(23)28(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-20H,1-5H3/t20-,29?/m1/s1.
What are the key properties of N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 423.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 162393817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).