4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide

C12H23NO3S2Si — CID 10426239

IUPAC4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
SMILESCC(O[Si](C)(C)C(C)(C)C)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C12H23NO3S2Si/c1-9(16-19(5,6)12(2,3)4)10-7-11(17-8-10)18(13,14)15/h7-9H,1-6H3,(H2,13,14,15)
InChIKeyHCHMGSAWWXOJLM-UHFFFAOYSA-N
MW321.54 g/mol
LogP3.48
Rot. Bonds4

About 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide

4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide (PubChem CID 10426239) has the molecular formula C12H23NO3S2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
PubChem CID10426239
Molecular FormulaC12H23NO3S2Si
Molecular Weight321.54 g/mol
Exact Mass321.09
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide
SMILESCC(O[Si](C)(C)C(C)(C)C)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C12H23NO3S2Si/c1-9(16-19(5,6)12(2,3)4)10-7-11(17-8-10)18(13,14)15/h7-9H,1-6H3,(H2,13,14,15)
InChIKeyHCHMGSAWWXOJLM-UHFFFAOYSA-N
XLogP3.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide (CID 10426239) is 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide is CC(O[Si](C)(C)C(C)(C)C)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide?
The InChIKey is HCHMGSAWWXOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2Si/c1-9(16-19(5,6)12(2,3)4)10-7-11(17-8-10)18(13,14)15/h7-9H,1-6H3,(H2,13,14,15).
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide?
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide has a molecular weight of 321.54 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10426239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).