N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide

C16H26F3NO3SSi — CID 162400469

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C16H26F3NO3SSi/c1-15(2,3)25(4,5)23-14(11-13-9-7-6-8-10-13)12-20-24(21,22)16(17,18)19/h6-10,14,20H,11-12H2,1-5H3
InChIKeyHTEVVNXFAYBFCY-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.06
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 162400469) has the molecular formula C16H26F3NO3SSi and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID162400469
Molecular FormulaC16H26F3NO3SSi
Molecular Weight397.54 g/mol
Exact Mass397.14
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C16H26F3NO3SSi/c1-15(2,3)25(4,5)23-14(11-13-9-7-6-8-10-13)12-20-24(21,22)16(17,18)19/h6-10,14,20H,11-12H2,1-5H3
InChIKeyHTEVVNXFAYBFCY-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide (CID 162400469) is N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide is CC(C)(C)[Si](C)(C)OC(CNS(=O)(=O)C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is HTEVVNXFAYBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO3SSi/c1-15(2,3)25(4,5)23-14(11-13-9-7-6-8-10-13)12-20-24(21,22)16(17,18)19/h6-10,14,20H,11-12H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 162400469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).