(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane

C20H33NO4SSi — CID 102071663

IUPAC(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane
SMILESCOc1ccc2c(CO[Si](C(C)C)(C(C)C)C(C)C)cn(S(C)(=O)=O)c2c1
InChIInChI=1S/C20H33NO4SSi/c1-14(2)27(15(3)4,16(5)6)25-13-17-12-21(26(8,22)23)20-11-18(24-7)9-10-19(17)20/h9-12,14-16H,13H2,1-8H3
InChIKeyBXSPHAKCHUICOA-UHFFFAOYSA-N
MW411.64 g/mol
LogP5.15
Rot. Bonds8

About (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane

(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 102071663) has the molecular formula C20H33NO4SSi and a molecular weight of 411.64 g/mol. Its IUPAC name is (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane
PubChem CID102071663
Molecular FormulaC20H33NO4SSi
Molecular Weight411.64 g/mol
Exact Mass411.19
IUPAC Name(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane
SMILESCOc1ccc2c(CO[Si](C(C)C)(C(C)C)C(C)C)cn(S(C)(=O)=O)c2c1
InChIInChI=1S/C20H33NO4SSi/c1-14(2)27(15(3)4,16(5)6)25-13-17-12-21(26(8,22)23)20-11-18(24-7)9-10-19(17)20/h9-12,14-16H,13H2,1-8H3
InChIKeyBXSPHAKCHUICOA-UHFFFAOYSA-N
XLogP5.15
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.64
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-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

N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
CID 166910854
4-chloro-6-methoxy-1-methylsulfonylindole
CID 173185624
3-(6-methoxy-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117122358
6-methoxy-1-propan-2-yl-2H-indazol-3-one
CID 105458890
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
3-(chloromethyl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69192857
3-ethyl-6-methoxyindole-1-carboxamide
CID 173231943
ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]-2-(benzylideneamino)propanoate
CID 10791234
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]-2-(benzylamino)propanoate
CID 10074398
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane (CID 102071663) is (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane is COc1ccc2c(CO[Si](C(C)C)(C(C)C)C(C)C)cn(S(C)(=O)=O)c2c1.
What is the InChIKey of (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is BXSPHAKCHUICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4SSi/c1-14(2)27(15(3)4,16(5)6)25-13-17-12-21(26(8,22)23)20-11-18(24-7)9-10-19(17)20/h9-12,14-16H,13H2,1-8H3.
What are the key properties of (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane?
(6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 411.64 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methylsulfonylindol-3-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102071663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).