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

C19H32F2N2O4S2Si — CID 167348227

IUPACtert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-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)cc2C1C(F)F
InChIInChI=1S/C19H32F2N2O4S2Si/c1-18(2,3)27-17(24)23-10-9-13-12(15(23)16(20)21)11-14(28-13)29(25,26)22-30(7,8)19(4,5)6/h11,15-16,22H,9-10H2,1-8H3
InChIKeyIYSZZZMSSGTPEW-UHFFFAOYSA-N
MW482.69 g/mol
LogP5.13
Rot. Bonds4

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

tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 167348227) has the molecular formula C19H32F2N2O4S2Si and a molecular weight of 482.69 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID167348227
Molecular FormulaC19H32F2N2O4S2Si
Molecular Weight482.69 g/mol
Exact Mass482.15
IUPAC Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-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)cc2C1C(F)F
InChIInChI=1S/C19H32F2N2O4S2Si/c1-18(2,3)27-17(24)23-10-9-13-12(15(23)16(20)21)11-14(28-13)29(25,26)22-30(7,8)19(4,5)6/h11,15-16,22H,9-10H2,1-8H3
InChIKeyIYSZZZMSSGTPEW-UHFFFAOYSA-N
XLogP5.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 55.13
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]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 167348227) is tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-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]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-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)cc2C1C(F)F.
What is the InChIKey of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is IYSZZZMSSGTPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N2O4S2Si/c1-18(2,3)27-17(24)23-10-9-13-12(15(23)16(20)21)11-14(28-13)29(25,26)22-30(7,8)19(4,5)6/h11,15-16,22H,9-10H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 482.69 g/mol, XLogP of 5.13, 4 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]-4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 167348227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).