2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine

C24H33FN2O3SSi — CID 176845478

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(CNCCO[Si](C)(C)C(C)(C)C)cc(F)cc32)cc1
InChIInChI=1S/C24H33FN2O3SSi/c1-18-7-9-21(10-8-18)31(28,29)27-13-11-22-19(15-20(25)16-23(22)27)17-26-12-14-30-32(5,6)24(2,3)4/h7-11,13,15-16,26H,12,14,17H2,1-6H3
InChIKeyAKAIWIGENNDCPE-UHFFFAOYSA-N
MW476.69 g/mol
LogP5.44
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine (PubChem CID 176845478) has the molecular formula C24H33FN2O3SSi and a molecular weight of 476.69 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine
PubChem CID176845478
Molecular FormulaC24H33FN2O3SSi
Molecular Weight476.69 g/mol
Exact Mass476.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(CNCCO[Si](C)(C)C(C)(C)C)cc(F)cc32)cc1
InChIInChI=1S/C24H33FN2O3SSi/c1-18-7-9-21(10-8-18)31(28,29)27-13-11-22-19(15-20(25)16-23(22)27)17-26-12-14-30-32(5,6)24(2,3)4/h7-11,13,15-16,26H,12,14,17H2,1-6H3
InChIKeyAKAIWIGENNDCPE-UHFFFAOYSA-N
XLogP5.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine 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-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
6-fluoro-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 151947464
tert-butyl-dimethyl-[4-[1-(4-methylphenyl)sulfonylindol-2-yl]butoxy]silane
CID 102159661
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
1-(benzenesulfonyl)-6-fluoro-4-[(1-methylazepan-4-yl)methyl]indole
CID 143603060
2-[4-[2-(benzenesulfonyl)ethynyl]-1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy-tert-butyl-dimethylsilane
CID 162412592
[2-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuterioethyl] 4-methylbenzenesulfonate
CID 169435361
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methoxy]silane
CID 10450874
1-[6-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethanone
CID 86689856
3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
CID 11725119
tert-butyl-[2-[(2S,4R)-4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]-dimethylsilane
CID 102079275
(1R,2S)-1-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4-methylphenyl)sulfonylindol-4-yl]-3-methylbutane-1,2,3-triol
CID 56934439

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine (CID 176845478) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine is Cc1ccc(S(=O)(=O)n2ccc3c(CNCCO[Si](C)(C)C(C)(C)C)cc(F)cc32)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine?
The InChIKey is AKAIWIGENNDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O3SSi/c1-18-7-9-21(10-8-18)31(28,29)27-13-11-22-19(15-20(25)16-23(22)27)17-26-12-14-30-32(5,6)24(2,3)4/h7-11,13,15-16,26H,12,14,17H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine has a molecular weight of 476.69 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]ethanamine is sourced from PubChem (CID 176845478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).