(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

C33H32NOPS — CID 134950361

IUPAC(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C33H32NOPS/c1-33(2,3)37(35)34-32(29-23-14-16-25-15-10-11-21-28(25)29)30-22-12-13-24-31(30)36(26-17-6-4-7-18-26)27-19-8-5-9-20-27/h4-24,32,34H,1-3H3/t32-,37+/m0/s1
InChIKeyZEKRYLFTCRWHOG-NBWQQBAWSA-N
MW521.67 g/mol
LogP6.74
Rot. Bonds7

About (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134950361) has the molecular formula C33H32NOPS and a molecular weight of 521.67 g/mol. Its IUPAC name is (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID134950361
Molecular FormulaC33H32NOPS
Molecular Weight521.67 g/mol
Exact Mass521.19
IUPAC Name(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C33H32NOPS/c1-33(2,3)37(35)34-32(29-23-14-16-25-15-10-11-21-28(25)29)30-22-12-13-24-31(30)36(26-17-6-4-7-18-26)27-19-8-5-9-20-27/h4-24,32,34H,1-3H3/t32-,37+/m0/s1
InChIKeyZEKRYLFTCRWHOG-NBWQQBAWSA-N
XLogP6.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 56.74
H-Bond Donors ≤ 51
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 (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (CID 134950361) is (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZEKRYLFTCRWHOG-NBWQQBAWSA-N. The full InChI is InChI=1S/C33H32NOPS/c1-33(2,3)37(35)34-32(29-23-14-16-25-15-10-11-21-28(25)29)30-22-12-13-24-31(30)36(26-17-6-4-7-18-26)27-19-8-5-9-20-27/h4-24,32,34H,1-3H3/t32-,37+/m0/s1.
What are the key properties of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 521.67 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(2-diphenylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134950361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).