N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide

C33H48NO2PSSi — CID 170920760

IUPACN-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[Si](Oc1ccccc1C(CP(c1ccccc1)c1ccccc1)NS(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H48NO2PSSi/c1-25(2)39(26(3)4,27(5)6)36-32-23-17-16-22-30(32)31(34-38(35)33(7,8)9)24-37(28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-23,25-27,31,34H,24H2,1-9H3
InChIKeyIUYOKMGILWCTJY-UHFFFAOYSA-N
MW581.88 g/mol
LogP8.47
Rot. Bonds12

About N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide

N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170920760) has the molecular formula C33H48NO2PSSi and a molecular weight of 581.88 g/mol. Its IUPAC name is N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170920760
Molecular FormulaC33H48NO2PSSi
Molecular Weight581.88 g/mol
Exact Mass581.29
IUPAC NameN-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)[Si](Oc1ccccc1C(CP(c1ccccc1)c1ccccc1)NS(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H48NO2PSSi/c1-25(2)39(26(3)4,27(5)6)36-32-23-17-16-22-30(32)31(34-38(35)33(7,8)9)24-37(28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-23,25-27,31,34H,24H2,1-9H3
InChIKeyIUYOKMGILWCTJY-UHFFFAOYSA-N
XLogP8.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.88
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 154728529
N-[(1S)-2-diphenylphosphanyl-1-[2-[2,6-di(propan-2-yl)phenyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 162393755
(R)-N-[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)phenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
CID 155887976
(S)-N-[(1R)-1-[2-(3,5-ditert-butyl-4-methoxyphenyl)phenyl]-2-diphenylphosphanylethyl]-2-methylpropane-2-sulfinamide
CID 178184062
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163355351
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
(R)-N-[(1R)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163340342
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
N-[(1S)-2-diphenylphosphanyl-1-phenylethyl]-N,2-dimethylpropane-2-sulfinamide
CID 156599802

Frequently Asked Questions

What is the IUPAC name of N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 170920760) is N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(C)[Si](Oc1ccccc1C(CP(c1ccccc1)c1ccccc1)NS(=O)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is IUYOKMGILWCTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48NO2PSSi/c1-25(2)39(26(3)4,27(5)6)36-32-23-17-16-22-30(32)31(34-38(35)33(7,8)9)24-37(28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-23,25-27,31,34H,24H2,1-9H3.
What are the key properties of N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 581.88 g/mol, XLogP of 8.47, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-diphenylphosphanyl-1-[2-tri(propan-2-yl)silyloxyphenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170920760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).