S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate

C10H18INOSTe — CID 15554451

IUPACS-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate
SMILESO=C(S[Te]1(I)CCCC1)N1CCCCC1
InChIInChI=1S/C10H18INOSTe/c11-15(8-4-5-9-15)14-10(13)12-6-2-1-3-7-12/h1-9H2
InChIKeyJUDCQFKXCFMBCP-UHFFFAOYSA-N
MW454.83 g/mol
LogP4.00
Rot. Bonds1

About S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate

S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate (PubChem CID 15554451) has the molecular formula C10H18INOSTe and a molecular weight of 454.83 g/mol. Its IUPAC name is S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate.

Molecular Properties

Compound NameS-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate
PubChem CID15554451
Molecular FormulaC10H18INOSTe
Molecular Weight454.83 g/mol
Exact Mass456.92
IUPAC NameS-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate
SMILESO=C(S[Te]1(I)CCCC1)N1CCCCC1
InChIInChI=1S/C10H18INOSTe/c11-15(8-4-5-9-15)14-10(13)12-6-2-1-3-7-12/h1-9H2
InChIKeyJUDCQFKXCFMBCP-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate?
The IUPAC name of S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate (CID 15554451) is S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate.
What is the SMILES notation for S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate?
The canonical SMILES for S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate is O=C(S[Te]1(I)CCCC1)N1CCCCC1.
What is the InChIKey of S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate?
The InChIKey is JUDCQFKXCFMBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INOSTe/c11-15(8-4-5-9-15)14-10(13)12-6-2-1-3-7-12/h1-9H2.
What are the key properties of S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate?
S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate has a molecular weight of 454.83 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-iodo-1λ4-tellurolan-1-yl) piperidine-1-carbothioate is sourced from PubChem (CID 15554451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).