trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane

C18H23NO2SSi — CID 15500792

IUPACtrimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
SMILESCc1ccc(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H23NO2SSi/c1-14-10-12-16(13-11-14)22(20,21)19-17(18(19)23(2,3)4)15-8-6-5-7-9-15/h5-13,17-18H,1-4H3/t17-,18+,19?/m0/s1
InChIKeyCCBNOJNYYOWFJL-PAMZHZACSA-N
MW345.54 g/mol
LogP3.99
Rot. Bonds4

About trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane

trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane (PubChem CID 15500792) has the molecular formula C18H23NO2SSi and a molecular weight of 345.54 g/mol. Its IUPAC name is trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
PubChem CID15500792
Molecular FormulaC18H23NO2SSi
Molecular Weight345.54 g/mol
Exact Mass345.12
IUPAC Nametrimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
SMILESCc1ccc(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H23NO2SSi/c1-14-10-12-16(13-11-14)22(20,21)19-17(18(19)23(2,3)4)15-8-6-5-7-9-15/h5-13,17-18H,1-4H3/t17-,18+,19?/m0/s1
InChIKeyCCBNOJNYYOWFJL-PAMZHZACSA-N
XLogP3.99
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-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

(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329
(2S,3R)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3-phenylaziridine
CID 101340781
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
2,2-dimethyl-1-[(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]propan-1-one
CID 10066920
(2S,3R,4S)-3-bromo-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-ylazetidine
CID 101070988
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
CID 10937266
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane?
The IUPAC name of trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane (CID 15500792) is trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane.
What is the SMILES notation for trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane?
The canonical SMILES for trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane is Cc1ccc(S(=O)(=O)N2[C@H]([Si](C)(C)C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane?
The InChIKey is CCBNOJNYYOWFJL-PAMZHZACSA-N. The full InChI is InChI=1S/C18H23NO2SSi/c1-14-10-12-16(13-11-14)22(20,21)19-17(18(19)23(2,3)4)15-8-6-5-7-9-15/h5-13,17-18H,1-4H3/t17-,18+,19?/m0/s1.
What are the key properties of trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane?
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane has a molecular weight of 345.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane is sourced from PubChem (CID 15500792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).