(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide

C31H46NOPS — CID 156620879

IUPAC(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C31H46NOPS/c1-23-20-24(2)22-25(21-23)30(32-35(33)31(3,4)5)28-18-12-13-19-29(28)34(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-22,26-27,30,32H,6-11,14-17H2,1-5H3/t30-,35+/m0/s1
InChIKeyNHUAWUXOLWAPAD-LWQYYNMXSA-N
MW511.76 g/mol
LogP8.22
Rot. Bonds7

About (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 156620879) has the molecular formula C31H46NOPS and a molecular weight of 511.76 g/mol. Its IUPAC name is (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID156620879
Molecular FormulaC31H46NOPS
Molecular Weight511.76 g/mol
Exact Mass511.30
IUPAC Name(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc(C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C31H46NOPS/c1-23-20-24(2)22-25(21-23)30(32-35(33)31(3,4)5)28-18-12-13-19-29(28)34(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-22,26-27,30,32H,6-11,14-17H2,1-5H3/t30-,35+/m0/s1
InChIKeyNHUAWUXOLWAPAD-LWQYYNMXSA-N
XLogP8.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.76
LogP ≤ 58.22
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

(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 178184296
N-[(R)-(2-dicyclohexylphosphanyl-3-phenylmethoxyphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 162393758
(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
N-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154725985
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620899
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620896
N-[(S)-(2-ditert-butylphosphanylphenyl)-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393879
(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(2-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 171672704
(R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-ditert-butylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 155293982

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide (CID 156620879) is (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide is Cc1cc(C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NHUAWUXOLWAPAD-LWQYYNMXSA-N. The full InChI is InChI=1S/C31H46NOPS/c1-23-20-24(2)22-25(21-23)30(32-35(33)31(3,4)5)28-18-12-13-19-29(28)34(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-22,26-27,30,32H,6-11,14-17H2,1-5H3/t30-,35+/m0/s1.
What are the key properties of (R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 511.76 g/mol, XLogP of 8.22, 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-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156620879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).