tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane

C20H35ClN2OSSi2 — CID 167348834

IUPACtert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(Cl)c1cn([Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H35ClN2OSSi2/c1-19(2,3)26(7,8)22-25(21,24)18-15-23(27(9,10)20(4,5)6)17-14-12-11-13-16(17)18/h11-15H,1-10H3
InChIKeyFFWMGAZFXBORSG-UHFFFAOYSA-N
MW443.21 g/mol
LogP7.48
Rot. Bonds3

About tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane

tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane (PubChem CID 167348834) has the molecular formula C20H35ClN2OSSi2 and a molecular weight of 443.21 g/mol. Its IUPAC name is tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane
PubChem CID167348834
Molecular FormulaC20H35ClN2OSSi2
Molecular Weight443.21 g/mol
Exact Mass442.17
IUPAC Nametert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(Cl)c1cn([Si](C)(C)C(C)(C)C)c2ccccc12
InChIInChI=1S/C20H35ClN2OSSi2/c1-19(2,3)26(7,8)22-25(21,24)18-15-23(27(9,10)20(4,5)6)17-14-12-11-13-16(17)18/h11-15H,1-10H3
InChIKeyFFWMGAZFXBORSG-UHFFFAOYSA-N
XLogP7.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.21
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane (CID 167348834) is tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)N=S(=O)(Cl)c1cn([Si](C)(C)C(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane?
The InChIKey is FFWMGAZFXBORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35ClN2OSSi2/c1-19(2,3)26(7,8)22-25(21,24)18-15-23(27(9,10)20(4,5)6)17-14-12-11-13-16(17)18/h11-15H,1-10H3.
What are the key properties of tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane?
tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane has a molecular weight of 443.21 g/mol, XLogP of 7.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]indol-1-yl]-dimethylsilane is sourced from PubChem (CID 167348834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).