9-iodo-1-thia-5,9-diazaspiro[5.5]undecane

C8H15IN2S — CID 134389589

IUPAC9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
SMILESIN1CCC2(CC1)NCCCS2
InChIInChI=1S/C8H15IN2S/c9-11-5-2-8(3-6-11)10-4-1-7-12-8/h10H,1-7H2
InChIKeyUYDZLACNSYIQGC-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.86
Rot. Bonds

About 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane

9-iodo-1-thia-5,9-diazaspiro[5.5]undecane (PubChem CID 134389589) has the molecular formula C8H15IN2S and a molecular weight of 298.19 g/mol. Its IUPAC name is 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
PubChem CID134389589
Molecular FormulaC8H15IN2S
Molecular Weight298.19 g/mol
Exact Mass298.00
IUPAC Name9-iodo-1-thia-5,9-diazaspiro[5.5]undecane
SMILESIN1CCC2(CC1)NCCCS2
InChIInChI=1S/C8H15IN2S/c9-11-5-2-8(3-6-11)10-4-1-7-12-8/h10H,1-7H2
InChIKeyUYDZLACNSYIQGC-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane (CID 134389589) is 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane is IN1CCC2(CC1)NCCCS2.
What is the InChIKey of 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane?
The InChIKey is UYDZLACNSYIQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2S/c9-11-5-2-8(3-6-11)10-4-1-7-12-8/h10H,1-7H2.
What are the key properties of 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane?
9-iodo-1-thia-5,9-diazaspiro[5.5]undecane has a molecular weight of 298.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-1-thia-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134389589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).