2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate

C16H27NO4SSi — CID 134871602

IUPAC2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate
SMILESCc1ccc(S(=O)(=O)N(C(=O)OCC(C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO4SSi/c1-13-8-10-14(11-9-13)22(19,20)17(23(5,6)7)15(18)21-12-16(2,3)4/h8-11H,12H2,1-7H3
InChIKeyPLEKWYPFDMFJRL-UHFFFAOYSA-N
MW357.55 g/mol
LogP4.00
Rot. Bonds4

About 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate

2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate (PubChem CID 134871602) has the molecular formula C16H27NO4SSi and a molecular weight of 357.55 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate
PubChem CID134871602
Molecular FormulaC16H27NO4SSi
Molecular Weight357.55 g/mol
Exact Mass357.14
IUPAC Name2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate
SMILESCc1ccc(S(=O)(=O)N(C(=O)OCC(C)(C)C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO4SSi/c1-13-8-10-14(11-9-13)22(19,20)17(23(5,6)7)15(18)21-12-16(2,3)4/h8-11H,12H2,1-7H3
InChIKeyPLEKWYPFDMFJRL-UHFFFAOYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
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 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate?
The IUPAC name of 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate (CID 134871602) is 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate?
The canonical SMILES for 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate is Cc1ccc(S(=O)(=O)N(C(=O)OCC(C)(C)C)[Si](C)(C)C)cc1.
What is the InChIKey of 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate?
The InChIKey is PLEKWYPFDMFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4SSi/c1-13-8-10-14(11-9-13)22(19,20)17(23(5,6)7)15(18)21-12-16(2,3)4/h8-11H,12H2,1-7H3.
What are the key properties of 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate?
2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate has a molecular weight of 357.55 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-(4-methylphenyl)sulfonyl-N-trimethylsilylcarbamate is sourced from PubChem (CID 134871602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).