N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide

C15H27NO4SSi — CID 59211904

IUPACN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(O)cc(CO[Si](C)(C)C(C)(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C15H27NO4SSi/c1-15(2,3)22(6,7)20-11-12-8-13(10-14(17)9-12)16(4)21(5,18)19/h8-10,17H,11H2,1-7H3
InChIKeyKEQRWBLXFZKPLN-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.31
Rot. Bonds5

About N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide

N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide (PubChem CID 59211904) has the molecular formula C15H27NO4SSi and a molecular weight of 345.54 g/mol. Its IUPAC name is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide
PubChem CID59211904
Molecular FormulaC15H27NO4SSi
Molecular Weight345.54 g/mol
Exact Mass345.14
IUPAC NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(O)cc(CO[Si](C)(C)C(C)(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C15H27NO4SSi/c1-15(2,3)22(6,7)20-11-12-8-13(10-14(17)9-12)16(4)21(5,18)19/h8-10,17H,11H2,1-7H3
InChIKeyKEQRWBLXFZKPLN-UHFFFAOYSA-N
XLogP3.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.31
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-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide (CID 59211904) is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide is CN(c1cc(O)cc(CO[Si](C)(C)C(C)(C)C)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is KEQRWBLXFZKPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4SSi/c1-15(2,3)22(6,7)20-11-12-8-13(10-14(17)9-12)16(4)21(5,18)19/h8-10,17H,11H2,1-7H3.
What are the key properties of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide?
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 345.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59211904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).