(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

C41H52NOPS — CID 169448786

IUPAC(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12
InChIInChI=1S/C41H52NOPS/c1-39(2,3)45(43)42-38(35-13-8-10-33-9-4-5-11-34(33)35)36-12-6-7-14-37(36)44(40-21-27-15-28(22-40)17-29(16-27)23-40)41-24-30-18-31(25-41)20-32(19-30)26-41/h4-14,27-32,38,42H,15-26H2,1-3H3/t27?,28?,29?,30?,31?,32?,38-,40?,41?,44?,45-/m1/s1
InChIKeyXYWHJFIKUZQJHZ-NXNPWEIUSA-N
MW637.91 g/mol
LogP10.03
Rot. Bonds7

About (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169448786) has the molecular formula C41H52NOPS and a molecular weight of 637.91 g/mol. Its IUPAC name is (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID169448786
Molecular FormulaC41H52NOPS
Molecular Weight637.91 g/mol
Exact Mass637.35
IUPAC Name(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12
InChIInChI=1S/C41H52NOPS/c1-39(2,3)45(43)42-38(35-13-8-10-33-9-4-5-11-34(33)35)36-12-6-7-14-37(36)44(40-21-27-15-28(22-40)17-29(16-27)23-40)41-24-30-18-31(25-41)20-32(19-30)26-41/h4-14,27-32,38,42H,15-26H2,1-3H3/t27?,28?,29?,30?,31?,32?,38-,40?,41?,44?,45-/m1/s1
InChIKeyXYWHJFIKUZQJHZ-NXNPWEIUSA-N
XLogP10.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.91
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 171672704
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 178184331
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 178184296
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 164887402
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(2-methylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 178184236
N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599796
(R)-N-[(S)-1-adamantyl-(2-ditert-butylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162420735
(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(3,5-dimethylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 178184266
N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 155885270
N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 156620879

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (CID 169448786) is (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12.
What is the InChIKey of (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XYWHJFIKUZQJHZ-NXNPWEIUSA-N. The full InChI is InChI=1S/C41H52NOPS/c1-39(2,3)45(43)42-38(35-13-8-10-33-9-4-5-11-34(33)35)36-12-6-7-14-37(36)44(40-21-27-15-28(22-40)17-29(16-27)23-40)41-24-30-18-31(25-41)20-32(19-30)26-41/h4-14,27-32,38,42H,15-26H2,1-3H3/t27?,28?,29?,30?,31?,32?,38-,40?,41?,44?,45-/m1/s1.
What are the key properties of (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 637.91 g/mol, XLogP of 10.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169448786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).