tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate

C20H36N2O4S2Si — CID 167348260

IUPACtert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(c1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C1CC1
InChIInChI=1S/C20H36N2O4S2Si/c1-19(2,3)26-18(23)22(7)17(14-10-11-14)15-12-13-16(27-15)28(24,25)21-29(8,9)20(4,5)6/h12-14,17,21H,10-11H2,1-9H3
InChIKeyWTIRNTLBACWOKW-UHFFFAOYSA-N
MW460.74 g/mol
LogP5.35
Rot. Bonds6

About tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate

tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate (PubChem CID 167348260) has the molecular formula C20H36N2O4S2Si and a molecular weight of 460.74 g/mol. Its IUPAC name is tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
PubChem CID167348260
Molecular FormulaC20H36N2O4S2Si
Molecular Weight460.74 g/mol
Exact Mass460.19
IUPAC Nametert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(c1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C1CC1
InChIInChI=1S/C20H36N2O4S2Si/c1-19(2,3)26-18(23)22(7)17(14-10-11-14)15-12-13-16(27-15)28(24,25)21-29(8,9)20(4,5)6/h12-14,17,21H,10-11H2,1-9H3
InChIKeyWTIRNTLBACWOKW-UHFFFAOYSA-N
XLogP5.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate (CID 167348260) is tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(c1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1)C1CC1.
What is the InChIKey of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
The InChIKey is WTIRNTLBACWOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4S2Si/c1-19(2,3)26-18(23)22(7)17(14-10-11-14)15-12-13-16(27-15)28(24,25)21-29(8,9)20(4,5)6/h12-14,17,21H,10-11H2,1-9H3.
What are the key properties of tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate?
tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate has a molecular weight of 460.74 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]thiophen-2-yl]-cyclopropylmethyl]-N-methylcarbamate is sourced from PubChem (CID 167348260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).