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

C30H32NOPS — CID 155293926

IUPAC(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C
InChIInChI=1S/C30H32NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23,29H,1-4H3/t29-,34-/m1/s1
InChIKeyYCLRTNBFAFWZQH-ANHUGMMASA-N
MW485.63 g/mol
LogP5.93
Rot. Bonds7

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

(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 155293926) has the molecular formula C30H32NOPS and a molecular weight of 485.63 g/mol. Its IUPAC name is (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID155293926
Molecular FormulaC30H32NOPS
Molecular Weight485.63 g/mol
Exact Mass485.19
IUPAC Name(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C
InChIInChI=1S/C30H32NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23,29H,1-4H3/t29-,34-/m1/s1
InChIKeyYCLRTNBFAFWZQH-ANHUGMMASA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.93
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

N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839
N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393817
(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163355351
N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154704991
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293958
N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154725985
N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599796
N-[(S)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393922
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
(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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (CID 155293926) is (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is YCLRTNBFAFWZQH-ANHUGMMASA-N. The full InChI is InChI=1S/C30H32NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23,29H,1-4H3/t29-,34-/m1/s1.
What are the key properties of (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 485.63 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 155293926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).