N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide

C13H23NO3SSi — CID 175872996

IUPACN-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)N(O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H23NO3SSi/c1-13(2,3)19(4,5)14(15)18(16,17)11-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyIIGBZJOZRBYCQN-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.21
Rot. Bonds4

About N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide

N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide (PubChem CID 175872996) has the molecular formula C13H23NO3SSi and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide
PubChem CID175872996
Molecular FormulaC13H23NO3SSi
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC NameN-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)N(O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H23NO3SSi/c1-13(2,3)19(4,5)14(15)18(16,17)11-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyIIGBZJOZRBYCQN-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide (CID 175872996) is N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide is CC(C)(C)[Si](C)(C)N(O)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide?
The InChIKey is IIGBZJOZRBYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3SSi/c1-13(2,3)19(4,5)14(15)18(16,17)11-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide?
N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide has a molecular weight of 301.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-N-hydroxy-1-phenylmethanesulfonamide is sourced from PubChem (CID 175872996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).