cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate

C16H21NSSi — CID 58579770

IUPACcyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate
SMILESC[Si](C)(C)C#C/C(=N/c1ccccc1)SCC1CC1
InChIInChI=1S/C16H21NSSi/c1-19(2,3)12-11-16(18-13-14-9-10-14)17-15-7-5-4-6-8-15/h4-8,14H,9-10,13H2,1-3H3/b17-16-
InChIKeyDIWXNTDRXUFGTM-MSUUIHNZSA-N
MW287.50 g/mol
LogP4.74
Rot. Bonds3

About cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate

cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate (PubChem CID 58579770) has the molecular formula C16H21NSSi and a molecular weight of 287.50 g/mol. Its IUPAC name is cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate.

Molecular Properties

Compound Namecyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate
PubChem CID58579770
Molecular FormulaC16H21NSSi
Molecular Weight287.50 g/mol
Exact Mass287.12
IUPAC Namecyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate
SMILESC[Si](C)(C)C#C/C(=N/c1ccccc1)SCC1CC1
InChIInChI=1S/C16H21NSSi/c1-19(2,3)12-11-16(18-13-14-9-10-14)17-15-7-5-4-6-8-15/h4-8,14H,9-10,13H2,1-3H3/b17-16-
InChIKeyDIWXNTDRXUFGTM-MSUUIHNZSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate?
The IUPAC name of cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate (CID 58579770) is cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate.
What is the SMILES notation for cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate?
The canonical SMILES for cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate is C[Si](C)(C)C#C/C(=N/c1ccccc1)SCC1CC1.
What is the InChIKey of cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate?
The InChIKey is DIWXNTDRXUFGTM-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21NSSi/c1-19(2,3)12-11-16(18-13-14-9-10-14)17-15-7-5-4-6-8-15/h4-8,14H,9-10,13H2,1-3H3/b17-16-.
What are the key properties of cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate?
cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate has a molecular weight of 287.50 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-phenyl-3-trimethylsilylprop-2-ynimidothioate is sourced from PubChem (CID 58579770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).