(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide

C39H62NOPS — CID 156620899

About (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide

(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 156620899) has the molecular formula C39H62NOPS and a molecular weight of 623.97 g/mol. Its IUPAC name is (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
• PubChem CID: 156620899
• Molecular Formula: C39H62NOPS
• Molecular Weight: 623.97 g/mol
• Exact Mass: 623.43
• IUPAC Name: (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
• SMILES: CC(C)c1cc(C(C)C)c([C@H](c2ccccc2P(C2CCCCC2)C2CCCCC2)N(C)[S@](=O)C(C)(C)C)c(C(C)C)c1
• InChI: InChI=1S/C39H62NOPS/c1-27(2)30-25-34(28(3)4)37(35(26-30)29(5)6)38(40(10)43(41)39(7,8)9)33-23-17-18-24-36(33)42(31-19-13-11-14-20-31)32-21-15-12-16-22-32/h17-18,23-29,31-32,38H,11-16,19-22H2,1-10H3/t38-,43+/m0/s1
• InChIKey: HTDMULCYISBNRE-PWPASLGISA-N
• XLogP: 11.31
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.97
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide (CID 156620899) is (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide is CC(C)c1cc(C(C)C)c([C@H](c2ccccc2P(C2CCCCC2)C2CCCCC2)N(C)[S@](=O)C(C)(C)C)c(C(C)C)c1.

What is the InChIKey of (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

The InChIKey is HTDMULCYISBNRE-PWPASLGISA-N. The full InChI is InChI=1S/C39H62NOPS/c1-27(2)30-25-34(28(3)4)37(35(26-30)29(5)6)38(40(10)43(41)39(7,8)9)33-23-17-18-24-36(33)42(31-19-13-11-14-20-31)32-21-15-12-16-22-32/h17-18,23-29,31-32,38H,11-16,19-22H2,1-10H3/t38-,43+/m0/s1.

What are the key properties of (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide?

(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 623.97 g/mol, XLogP of 11.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 156620899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).