trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane

C19H26N2O2SSi — CID 11337814

IUPACtrimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane
SMILESCc1cc(C)c(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1
InChIInChI=1S/C19H26N2O2SSi/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-17(19(21)25(4,5)6)16-8-7-9-20-12-16/h7-12,17,19H,1-6H3/t17-,19+,21?/m0/s1
InChIKeyDFOCTPGLHYCANB-FOHCZPNYSA-N
MW374.58 g/mol
LogP4.00
Rot. Bonds4

About trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane

trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane (PubChem CID 11337814) has the molecular formula C19H26N2O2SSi and a molecular weight of 374.58 g/mol. Its IUPAC name is trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane
PubChem CID11337814
Molecular FormulaC19H26N2O2SSi
Molecular Weight374.58 g/mol
Exact Mass374.15
IUPAC Nametrimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane
SMILESCc1cc(C)c(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1
InChIInChI=1S/C19H26N2O2SSi/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-17(19(21)25(4,5)6)16-8-7-9-20-12-16/h7-12,17,19H,1-6H3/t17-,19+,21?/m0/s1
InChIKeyDFOCTPGLHYCANB-FOHCZPNYSA-N
XLogP4.00
TPSA50.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane 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

(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275
(2S,3S)-2,3-diphenyl-1,4-bis[(2,4,6-trimethylphenyl)sulfonyl]-1,4-diazepan-6-one
CID 11093403
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 121195689
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
CID 1036909
8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763526
2-benzyl-5-methyl-3-pyridin-3-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82072861
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
2-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)sulfonyl-5-fluoro-3-methylbenzonitrile
CID 154854608
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane?
The IUPAC name of trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane (CID 11337814) is trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane.
What is the SMILES notation for trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane?
The canonical SMILES for trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane is Cc1cc(C)c(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2cccnc2)c(C)c1.
What is the InChIKey of trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane?
The InChIKey is DFOCTPGLHYCANB-FOHCZPNYSA-N. The full InChI is InChI=1S/C19H26N2O2SSi/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-17(19(21)25(4,5)6)16-8-7-9-20-12-16/h7-12,17,19H,1-6H3/t17-,19+,21?/m0/s1.
What are the key properties of trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane?
trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane has a molecular weight of 374.58 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R,3S)-3-pyridin-3-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridin-2-yl]silane is sourced from PubChem (CID 11337814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).