N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C36H48NO2PS — CID 162393758

IUPACN-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccccc1)c1cccc(OCc2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H48NO2PS/c1-36(2,3)41(38)37-34(29-19-10-5-11-20-29)32-25-16-26-33(39-27-28-17-8-4-9-18-28)35(32)40(30-21-12-6-13-22-30)31-23-14-7-15-24-31/h4-5,8-11,16-20,25-26,30-31,34,37H,6-7,12-15,21-24,27H2,1-3H3/t34-,41?/m1/s1
InChIKeyOKHPITJHTGHRAZ-MPDQCYFASA-N
MW589.83 g/mol
LogP9.18
Rot. Bonds10

About N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 162393758) has the molecular formula C36H48NO2PS and a molecular weight of 589.83 g/mol. Its IUPAC name is N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID162393758
Molecular FormulaC36H48NO2PS
Molecular Weight589.83 g/mol
Exact Mass589.31
IUPAC NameN-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1ccccc1)c1cccc(OCc2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H48NO2PS/c1-36(2,3)41(38)37-34(29-19-10-5-11-20-29)32-25-16-26-33(39-27-28-17-8-4-9-18-28)35(32)40(30-21-12-6-13-22-30)31-23-14-7-15-24-31/h4-5,8-11,16-20,25-26,30-31,34,37H,6-7,12-15,21-24,27H2,1-3H3/t34-,41?/m1/s1
InChIKeyOKHPITJHTGHRAZ-MPDQCYFASA-N
XLogP9.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.83
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293958
N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154704991
(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
(S)-N-[(R)-(2-diphenylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597619
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
CID 58048573
N-[3-(3-bromo-2-phenylmethoxyphenyl)-3-phenylpropyl]cyclopentanamine
CID 54551089

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 162393758) is N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](c1ccccc1)c1cccc(OCc2ccccc2)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OKHPITJHTGHRAZ-MPDQCYFASA-N. The full InChI is InChI=1S/C36H48NO2PS/c1-36(2,3)41(38)37-34(29-19-10-5-11-20-29)32-25-16-26-33(39-27-28-17-8-4-9-18-28)35(32)40(30-21-12-6-13-22-30)31-23-14-7-15-24-31/h4-5,8-11,16-20,25-26,30-31,34,37H,6-7,12-15,21-24,27H2,1-3H3/t34-,41?/m1/s1.
What are the key properties of N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 589.83 g/mol, XLogP of 9.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162393758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).