(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide

About (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 156620841) has the molecular formula C37H44NOPS and a molecular weight of 581.81 g/mol. Its IUPAC name is (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name	(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID	156620841
Molecular Formula	C37H44NOPS
Molecular Weight	581.81 g/mol
Exact Mass	581.29
IUPAC Name	(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide
SMILES	CC1(C)CCC(C)(C)c2cc([C@H](N[S@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21
InChI	InChI=1S/C37H44NOPS/c1-35(2,3)41(39)38-34(27-22-23-31-32(26-27)37(6,7)25-24-36(31,4)5)30-20-14-15-21-33(30)40(28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-23,26,34,38H,24-25H2,1-7H3/t34-,41+/m0/s1
InChIKey	RNECRLNZVHVLRD-FJOUAFLFSA-N
XLogP	7.93
TPSA	29.10 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	7
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.81
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide (CID 156620841) is (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide is CC1(C)CCC(C)(C)c2cc([C@H](N[S@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21.

What is the InChIKey of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide?

The InChIKey is RNECRLNZVHVLRD-FJOUAFLFSA-N. The full InChI is InChI=1S/C37H44NOPS/c1-35(2,3)41(39)38-34(27-22-23-31-32(26-27)37(6,7)25-24-36(31,4)5)30-20-14-15-21-33(30)40(28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-23,26,34,38H,24-25H2,1-7H3/t34-,41+/m0/s1.

What are the key properties of (R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide?

(R)-N-[(S)-(2-diphenylphosphanylphenyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 581.81 g/mol, XLogP of 7.93, 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)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156620841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).