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

C29H40NOPS — CID 164887402

IUPAC(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)P(c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C29H40NOPS/c1-27(2,3)32(28(4,5)6)25-20-13-12-18-24(25)26(30-33(31)29(7,8)9)23-19-14-16-21-15-10-11-17-22(21)23/h10-20,26,30H,1-9H3/t26-,33+/m0/s1
InChIKeyYUSQSKNVFUIHQG-OOOSNSGVSA-N
MW481.69 g/mol
LogP7.69
Rot. Bonds5

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

(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 164887402) has the molecular formula C29H40NOPS and a molecular weight of 481.69 g/mol. Its IUPAC name is (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID164887402
Molecular FormulaC29H40NOPS
Molecular Weight481.69 g/mol
Exact Mass481.26
IUPAC Name(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)P(c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C29H40NOPS/c1-27(2,3)32(28(4,5)6)25-20-13-12-18-24(25)26(30-33(31)29(7,8)9)23-19-14-16-21-15-10-11-17-22(21)23/h10-20,26,30H,1-9H3/t26-,33+/m0/s1
InChIKeyYUSQSKNVFUIHQG-OOOSNSGVSA-N
XLogP7.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.69
LogP ≤ 57.69
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

N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 169448786
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 164887404
N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393893
N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 155885270
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(S)-1-adamantyl-(2-ditert-butylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162420735
(S)-N-[(R)-(2-diphenylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597619
(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 171672704
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide (CID 164887402) is (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)P(c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is YUSQSKNVFUIHQG-OOOSNSGVSA-N. The full InChI is InChI=1S/C29H40NOPS/c1-27(2,3)32(28(4,5)6)25-20-13-12-18-24(25)26(30-33(31)29(7,8)9)23-19-14-16-21-15-10-11-17-22(21)23/h10-20,26,30H,1-9H3/t26-,33+/m0/s1.
What are the key properties of (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 481.69 g/mol, XLogP of 7.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164887402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).