2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide

C13H22N2O2S2Si — CID 88700183

IUPAC2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C13H22N2O2S2Si/c1-13(2,3)20(4,5)15-19(16,17)11-9-7-6-8-10(11)12(14)18/h6-9,15H,1-5H3,(H2,14,18)
InChIKeyYVDINRVWEVTOLS-UHFFFAOYSA-N
MW330.55 g/mol
LogP2.60
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide

2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide (PubChem CID 88700183) has the molecular formula C13H22N2O2S2Si and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide
PubChem CID88700183
Molecular FormulaC13H22N2O2S2Si
Molecular Weight330.55 g/mol
Exact Mass330.09
IUPAC Name2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1ccccc1C(N)=S
InChIInChI=1S/C13H22N2O2S2Si/c1-13(2,3)20(4,5)15-19(16,17)11-9-7-6-8-10(11)12(14)18/h6-9,15H,1-5H3,(H2,14,18)
InChIKeyYVDINRVWEVTOLS-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-4-ylsulfamoyl)benzenecarbothioamide
CID 24710907
2-(3-methylpentan-3-ylsulfamoyl)benzenecarbothioamide
CID 106329106
2-[(6-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 29050217
2-[(2-carbamothioylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61467920
2-[(3-bromo-5-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 107583692
2-(3-methylbutylsulfamoyl)benzenecarbothioamide
CID 24709997
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
2-[(4-ethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61470175
2-[(2-bromo-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 29296828
2-[3-(diethylamino)propylsulfamoyl]benzenecarbothioamide
CID 29269755
2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
CID 29302580

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide (CID 88700183) is 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide is CC(C)(C)[Si](C)(C)NS(=O)(=O)c1ccccc1C(N)=S.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide?
The InChIKey is YVDINRVWEVTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2Si/c1-13(2,3)20(4,5)15-19(16,17)11-9-7-6-8-10(11)12(14)18/h6-9,15H,1-5H3,(H2,14,18).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide?
2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide has a molecular weight of 330.55 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 88700183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).