N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide

C24H38NO5PSSi — CID 23420563

IUPACN-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide
SMILESCOP(=O)(OC)[C@@H](NS(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38NO5PSSi/c1-19-14-16-21(17-15-19)32(27)25-23(31(26,28-5)29-6)22(18-20-12-10-9-11-13-20)30-33(7,8)24(2,3)4/h9-17,22-23,25H,18H2,1-8H3/t22-,23+,32?/m0/s1
InChIKeyGITAHEXRJSBTRY-ODFFKVLCSA-N
MW511.70 g/mol
LogP6.05
Rot. Bonds11

About N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide

N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide (PubChem CID 23420563) has the molecular formula C24H38NO5PSSi and a molecular weight of 511.70 g/mol. Its IUPAC name is N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide
PubChem CID23420563
Molecular FormulaC24H38NO5PSSi
Molecular Weight511.70 g/mol
Exact Mass511.20
IUPAC NameN-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide
SMILESCOP(=O)(OC)[C@@H](NS(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38NO5PSSi/c1-19-14-16-21(17-15-19)32(27)25-23(31(26,28-5)29-6)22(18-20-12-10-9-11-13-20)30-33(7,8)24(2,3)4/h9-17,22-23,25H,18H2,1-8H3/t22-,23+,32?/m0/s1
InChIKeyGITAHEXRJSBTRY-ODFFKVLCSA-N
XLogP6.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.70
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-2-phenylethyl]-4-methylbenzenesulfinamide
CID 177407076
(S)-N-[(1R,2S)-1-dimethoxyphosphoryl-2-hydroxypropyl]-4-methylbenzenesulfinamide
CID 11067199
(1R,2R,3S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenylbutan-1-ol
CID 11352483
(S)-N-[(1R)-2-dimethoxyphosphoryl-1-phenylethyl]-4-methylbenzenesulfinamide
CID 10992203
ethyl (2R)-2-[(4-methylphenyl)sulfinylamino]-3-phenylpropanoate
CID 100970431
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-2,2-dicyano-1-phenylethyl]-4-methylbenzenesulfinamide
CID 102010983
N-[diethoxyphosphoryl(phenyl)methyl]-4-methylbenzenesulfinamide
CID 85216866
(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
CID 11347186
[(1R,2R,3S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxy-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenylbutyl] N-methylcarbamate
CID 11341897
(S)-N-[(1R,2R)-2-chloro-2-diethoxyphosphoryl-1-phenylpropyl]-4-methylbenzenesulfinamide
CID 11732961
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide?
The IUPAC name of N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide (CID 23420563) is N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide.
What is the SMILES notation for N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide?
The canonical SMILES for N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide is COP(=O)(OC)[C@@H](NS(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide?
The InChIKey is GITAHEXRJSBTRY-ODFFKVLCSA-N. The full InChI is InChI=1S/C24H38NO5PSSi/c1-19-14-16-21(17-15-19)32(27)25-23(31(26,28-5)29-6)22(18-20-12-10-9-11-13-20)30-33(7,8)24(2,3)4/h9-17,22-23,25H,18H2,1-8H3/t22-,23+,32?/m0/s1.
What are the key properties of N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide?
N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide has a molecular weight of 511.70 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-3-phenylpropyl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 23420563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).