methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate

C11H24N2SSi — CID 85361437

IUPACmethyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate
SMILESCSC(=NC[Si](C)(C)C)N1CCCCC1
InChIInChI=1S/C11H24N2SSi/c1-14-11(12-10-15(2,3)4)13-8-6-5-7-9-13/h5-10H2,1-4H3
InChIKeyLLENDCRMNXGHAK-UHFFFAOYSA-N
MW244.48 g/mol
LogP3.07
Rot. Bonds2

About methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate

methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate (PubChem CID 85361437) has the molecular formula C11H24N2SSi and a molecular weight of 244.48 g/mol. Its IUPAC name is methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate.

Molecular Properties

Compound Namemethyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate
PubChem CID85361437
Molecular FormulaC11H24N2SSi
Molecular Weight244.48 g/mol
Exact Mass244.14
IUPAC Namemethyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate
SMILESCSC(=NC[Si](C)(C)C)N1CCCCC1
InChIInChI=1S/C11H24N2SSi/c1-14-11(12-10-15(2,3)4)13-8-6-5-7-9-13/h5-10H2,1-4H3
InChIKeyLLENDCRMNXGHAK-UHFFFAOYSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 53.07
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate?
The IUPAC name of methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate (CID 85361437) is methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate.
What is the SMILES notation for methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate?
The canonical SMILES for methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate is CSC(=NC[Si](C)(C)C)N1CCCCC1.
What is the InChIKey of methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate?
The InChIKey is LLENDCRMNXGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2SSi/c1-14-11(12-10-15(2,3)4)13-8-6-5-7-9-13/h5-10H2,1-4H3.
What are the key properties of methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate?
methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate has a molecular weight of 244.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(trimethylsilylmethyl)piperidine-1-carboximidothioate is sourced from PubChem (CID 85361437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).