N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide

C30H44NOPS — CID 154704991

IUPACN-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1)S(=O)C(C)(C)C
InChIInChI=1S/C30H44NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5,8-9,14-17,22-23,25-26,29H,6-7,10-13,18-21H2,1-4H3/t29-,34?/m0/s1
InChIKeyJQOGHPACTGDYMR-MIXNXMPVSA-N
MW497.73 g/mol
LogP7.94
Rot. Bonds7

About N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 154704991) has the molecular formula C30H44NOPS and a molecular weight of 497.73 g/mol. Its IUPAC name is N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID154704991
Molecular FormulaC30H44NOPS
Molecular Weight497.73 g/mol
Exact Mass497.29
IUPAC NameN-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN([C@@H](c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1)S(=O)C(C)(C)C
InChIInChI=1S/C30H44NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5,8-9,14-17,22-23,25-26,29H,6-7,10-13,18-21H2,1-4H3/t29-,34?/m0/s1
InChIKeyJQOGHPACTGDYMR-MIXNXMPVSA-N
XLogP7.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.73
LogP ≤ 57.94
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-[(R)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 154725985
(R)-N-[(S)-[3,5-bis(trifluoromethyl)phenyl]-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620896
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620899
(S)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-dicyclohexylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 163355349
(R)-N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 155293926
N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599796
N-(anthracen-9-ylmethyl)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 162393937
(R)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(3,5-dimethylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 156620879
(S)-N-[(S)-(2-dicyclohexylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 166597654
(R)-N-[(S)-[2-[bis(1-adamantyl)phosphanyl]phenyl]-(3,5-dimethylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 178184266
1-(5-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine
CID 176507821

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (CID 154704991) is N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is CN([C@@H](c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1)S(=O)C(C)(C)C.
What is the InChIKey of N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is JQOGHPACTGDYMR-MIXNXMPVSA-N. The full InChI is InChI=1S/C30H44NOPS/c1-30(2,3)34(32)31(4)29(24-16-8-5-9-17-24)27-22-14-15-23-28(27)33(25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5,8-9,14-17,22-23,25-26,29H,6-7,10-13,18-21H2,1-4H3/t29-,34?/m0/s1.
What are the key properties of N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 497.73 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-dicyclohexylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 154704991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).