7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C7H12INO2S — CID 170116350

IUPAC7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(I)CC2)C1
InChIInChI=1S/C7H12INO2S/c8-9-3-1-7(2-4-9)5-12(10,11)6-7/h1-6H2
InChIKeyXOWAXSDPVPOBNS-UHFFFAOYSA-N
MW301.15 g/mol
LogP0.85
Rot. Bonds

About 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 170116350) has the molecular formula C7H12INO2S and a molecular weight of 301.15 g/mol. Its IUPAC name is 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID170116350
Molecular FormulaC7H12INO2S
Molecular Weight301.15 g/mol
Exact Mass300.96
IUPAC Name7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(I)CC2)C1
InChIInChI=1S/C7H12INO2S/c8-9-3-1-7(2-4-9)5-12(10,11)6-7/h1-6H2
InChIKeyXOWAXSDPVPOBNS-UHFFFAOYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
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 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 170116350) is 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(I)CC2)C1.
What is the InChIKey of 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is XOWAXSDPVPOBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2S/c8-9-3-1-7(2-4-9)5-12(10,11)6-7/h1-6H2.
What are the key properties of 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 301.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 170116350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).