(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide

C30H37NO4SSi — CID 23281339

IUPAC(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@@](=O)/N=C\[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C30H37NO4SSi/c1-23-17-19-24(20-18-23)36(32)31-21-27-28(35-30(5,6)34-27)22-33-37(29(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-21,27-28H,22H2,1-6H3/b31-21-/t27-,28-,36+/m0/s1
InChIKeyDGRPNNQOTQGTNH-DXPPLDSVSA-N
MW535.78 g/mol
LogP5.19
Rot. Bonds8

About (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide

(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide (PubChem CID 23281339) has the molecular formula C30H37NO4SSi and a molecular weight of 535.78 g/mol. Its IUPAC name is (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide
PubChem CID23281339
Molecular FormulaC30H37NO4SSi
Molecular Weight535.78 g/mol
Exact Mass535.22
IUPAC Name(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide
SMILESCc1ccc([S@@](=O)/N=C\[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C30H37NO4SSi/c1-23-17-19-24(20-18-23)36(32)31-21-27-28(35-30(5,6)34-27)22-33-37(29(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-21,27-28H,22H2,1-6H3/b31-21-/t27-,28-,36+/m0/s1
InChIKeyDGRPNNQOTQGTNH-DXPPLDSVSA-N
XLogP5.19
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.78
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-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

tert-butyl-[[(2R,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 10863309
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
(3aR,5S,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772714
[(3aR,6R,6aR)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 135012265
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 101461761
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
tert-butyl-[[(4R,5S)-2,2-dimethyl-5-pent-1-ynyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 101378354
[(4S,5R)-5-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 101230365
ethyl (E)-3-[(4R,5S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]prop-2-enoate
CID 102376061

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide?
The IUPAC name of (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide (CID 23281339) is (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide.
What is the SMILES notation for (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide?
The canonical SMILES for (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide is Cc1ccc([S@@](=O)/N=C\[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide?
The InChIKey is DGRPNNQOTQGTNH-DXPPLDSVSA-N. The full InChI is InChI=1S/C30H37NO4SSi/c1-23-17-19-24(20-18-23)36(32)31-21-27-28(35-30(5,6)34-27)22-33-37(29(2,3)4,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-21,27-28H,22H2,1-6H3/b31-21-/t27-,28-,36+/m0/s1.
What are the key properties of (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide?
(NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide has a molecular weight of 535.78 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-4-methylbenzenesulfinamide is sourced from PubChem (CID 23281339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).