tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C18H31FN2O4S2Si — CID 167348392

IUPACtert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c(F)c2C1
InChIInChI=1S/C18H31FN2O4S2Si/c1-17(2,3)25-16(22)21-10-9-13-12(11-21)14(19)15(26-13)27(23,24)20-28(7,8)18(4,5)6/h20H,9-11H2,1-8H3
InChIKeyKPYLYEGENODQCX-UHFFFAOYSA-N
MW450.67 g/mol
LogP4.46
Rot. Bonds3

About tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 167348392) has the molecular formula C18H31FN2O4S2Si and a molecular weight of 450.67 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID167348392
Molecular FormulaC18H31FN2O4S2Si
Molecular Weight450.67 g/mol
Exact Mass450.15
IUPAC Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c(F)c2C1
InChIInChI=1S/C18H31FN2O4S2Si/c1-17(2,3)25-16(22)21-10-9-13-12(11-21)14(19)15(26-13)27(23,24)20-28(7,8)18(4,5)6/h20H,9-11H2,1-8H3
InChIKeyKPYLYEGENODQCX-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 167348392) is tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2sc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c(F)c2C1.
What is the InChIKey of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is KPYLYEGENODQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O4S2Si/c1-17(2,3)25-16(22)21-10-9-13-12(11-21)14(19)15(26-13)27(23,24)20-28(7,8)18(4,5)6/h20H,9-11H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 450.67 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-3-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 167348392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).