(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

C32H42F6NOPS — CID 156620896

IUPAC(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(C1CCCCC1)C1CCCCC1)[S@](=O)C(C)(C)C
InChIInChI=1S/C32H42F6NOPS/c1-30(2,3)42(40)39(4)29(22-19-23(31(33,34)35)21-24(20-22)32(36,37)38)27-17-11-12-18-28(27)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h11-12,17-21,25-26,29H,5-10,13-16H2,1-4H3/t29-,42+/m0/s1
InChIKeyYEPMBIRTVRUNCS-KVBUJHEKSA-N
MW633.72 g/mol
LogP9.98
Rot. Bonds7

About (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 156620896) has the molecular formula C32H42F6NOPS and a molecular weight of 633.72 g/mol. Its IUPAC name is (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID156620896
Molecular FormulaC32H42F6NOPS
Molecular Weight633.72 g/mol
Exact Mass633.26
IUPAC Name(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(C1CCCCC1)C1CCCCC1)[S@](=O)C(C)(C)C
InChIInChI=1S/C32H42F6NOPS/c1-30(2,3)42(40)39(4)29(22-19-23(31(33,34)35)21-24(20-22)32(36,37)38)27-17-11-12-18-28(27)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h11-12,17-21,25-26,29H,5-10,13-16H2,1-4H3/t29-,42+/m0/s1
InChIKeyYEPMBIRTVRUNCS-KVBUJHEKSA-N
XLogP9.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.72
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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-(anthracen-9-ylmethyl)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 162393937
(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(3,5-dimethylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 178184266
N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599796
(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293926
(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
CID 176507821
(R)-N-[(R)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(2-methylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 178184236
N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393893

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (CID 156620896) is (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(C1CCCCC1)C1CCCCC1)[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is YEPMBIRTVRUNCS-KVBUJHEKSA-N. The full InChI is InChI=1S/C32H42F6NOPS/c1-30(2,3)42(40)39(4)29(22-19-23(31(33,34)35)21-24(20-22)32(36,37)38)27-17-11-12-18-28(27)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h11-12,17-21,25-26,29H,5-10,13-16H2,1-4H3/t29-,42+/m0/s1.
What are the key properties of (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?
(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 633.72 g/mol, XLogP of 9.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 156620896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).