N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

C32H36NOPS — CID 162393839

IUPACN-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCc1cc(C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)S(=O)C(C)(C)C)c1
InChIInChI=1S/C32H36NOPS/c1-24-21-25(2)23-26(22-24)31(33(6)36(34)32(3,4)5)29-19-13-14-20-30(29)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-23,31H,1-6H3/t31-,36?/m1/s1
InChIKeyINELIXLRNPBNLZ-RACIXVTASA-N
MW513.69 g/mol
LogP6.55
Rot. Bonds7

About N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 162393839) has the molecular formula C32H36NOPS and a molecular weight of 513.69 g/mol. Its IUPAC name is N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID162393839
Molecular FormulaC32H36NOPS
Molecular Weight513.69 g/mol
Exact Mass513.23
IUPAC NameN-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCc1cc(C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)S(=O)C(C)(C)C)c1
InChIInChI=1S/C32H36NOPS/c1-24-21-25(2)23-26(22-24)31(33(6)36(34)32(3,4)5)29-19-13-14-20-30(29)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-23,31H,1-6H3/t31-,36?/m1/s1
InChIKeyINELIXLRNPBNLZ-RACIXVTASA-N
XLogP6.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 56.55
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-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (CID 162393839) is N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is Cc1cc(C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)S(=O)C(C)(C)C)c1.
What is the InChIKey of N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is INELIXLRNPBNLZ-RACIXVTASA-N. The full InChI is InChI=1S/C32H36NOPS/c1-24-21-25(2)23-26(22-24)31(33(6)36(34)32(3,4)5)29-19-13-14-20-30(29)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-23,31H,1-6H3/t31-,36?/m1/s1.
What are the key properties of N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 513.69 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 162393839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).