N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide

C16H27NO4SSi — CID 134884078

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide
SMILESCC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H27NO4SSi/c1-13(18)15(12-21-23(5,6)16(2,3)4)17-22(19,20)14-10-8-7-9-11-14/h7-11,15,17H,12H2,1-6H3/t15-/m0/s1
InChIKeySMLZWOYIQIZUSG-HNNXBMFYSA-N
MW357.55 g/mol
LogP2.94
Rot. Bonds7

About N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide (PubChem CID 134884078) has the molecular formula C16H27NO4SSi and a molecular weight of 357.55 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide
PubChem CID134884078
Molecular FormulaC16H27NO4SSi
Molecular Weight357.55 g/mol
Exact Mass357.14
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide
SMILESCC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H27NO4SSi/c1-13(18)15(12-21-23(5,6)16(2,3)4)17-22(19,20)14-10-8-7-9-11-14/h7-11,15,17H,12H2,1-6H3/t15-/m0/s1
InChIKeySMLZWOYIQIZUSG-HNNXBMFYSA-N
XLogP2.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide (CID 134884078) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide is CC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is SMLZWOYIQIZUSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27NO4SSi/c1-13(18)15(12-21-23(5,6)16(2,3)4)17-22(19,20)14-10-8-7-9-11-14/h7-11,15,17H,12H2,1-6H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 357.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 134884078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).