3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide

C15H27N3O2SSi — CID 167348197

IUPAC3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H27N3O2SSi/c1-15(2,3)22(6,7)17-21(16,20)13-10-8-9-12(11-13)14(19)18(4)5/h8-11H,1-7H3,(H2,16,17,20)
InChIKeySTTKMJOIIAUFCU-UHFFFAOYSA-N
MW341.55 g/mol
LogP3.09
Rot. Bonds3

About 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide

3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide (PubChem CID 167348197) has the molecular formula C15H27N3O2SSi and a molecular weight of 341.55 g/mol. Its IUPAC name is 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide
PubChem CID167348197
Molecular FormulaC15H27N3O2SSi
Molecular Weight341.55 g/mol
Exact Mass341.16
IUPAC Name3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H27N3O2SSi/c1-15(2,3)22(6,7)17-21(16,20)13-10-8-9-12(11-13)14(19)18(4)5/h8-11H,1-7H3,(H2,16,17,20)
InChIKeySTTKMJOIIAUFCU-UHFFFAOYSA-N
XLogP3.09
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(tribromomethylsulfonyl)benzamide;pyrrolidin-1-yl-[3-(tribromomethylsulfonyl)phenyl]methanone
CID 91282394
2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone
CID 102346704
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide
CID 77089358
3-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 58728640
N,N-dimethoxy-3-sulfamoylbenzamide
CID 54347456
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969871
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-N,N-dimethylbenzamide;hydrochloride
CID 119989345
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120518687
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120665509

Frequently Asked Questions

What is the IUPAC name of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide (CID 167348197) is 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide?
The InChIKey is STTKMJOIIAUFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2SSi/c1-15(2,3)22(6,7)17-21(16,20)13-10-8-9-12(11-13)14(19)18(4)5/h8-11H,1-7H3,(H2,16,17,20).
What are the key properties of 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide?
3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide has a molecular weight of 341.55 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 167348197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).