(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide

C25H30NOPS — CID 163616748

IUPAC(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NOPS/c1-5-23(26-29(27)25(2,3)4)22-18-12-13-19-24(22)28(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-19,23,26H,5H2,1-4H3/t23-,29-/m0/s1
InChIKeyHKQJBNQOBAQRGI-IADCTJSHSA-N
MW423.56 g/mol
LogP4.95
Rot. Bonds7

About (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 163616748) has the molecular formula C25H30NOPS and a molecular weight of 423.56 g/mol. Its IUPAC name is (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID163616748
Molecular FormulaC25H30NOPS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NOPS/c1-5-23(26-29(27)25(2,3)4)22-18-12-13-19-24(22)28(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-19,23,26H,5H2,1-4H3/t23-,29-/m0/s1
InChIKeyHKQJBNQOBAQRGI-IADCTJSHSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide (CID 163616748) is (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](N[S@@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HKQJBNQOBAQRGI-IADCTJSHSA-N. The full InChI is InChI=1S/C25H30NOPS/c1-5-23(26-29(27)25(2,3)4)22-18-12-13-19-24(22)28(20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-19,23,26H,5H2,1-4H3/t23-,29-/m0/s1.
What are the key properties of (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 423.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-(2-diphenylphosphanylphenyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163616748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).