(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide

C8H14INO2S — CID 125463602

IUPAC(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide
SMILESO=S1(=O)C[C@H](I)CC2(CCCC2)N1
InChIInChI=1S/C8H14INO2S/c9-7-5-8(3-1-2-4-8)10-13(11,12)6-7/h7,10H,1-6H2/t7-/m1/s1
InChIKeyGURXCODUADGKFL-SSDOTTSWSA-N
MW315.18 g/mol
LogP1.43
Rot. Bonds

About (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide

(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide (PubChem CID 125463602) has the molecular formula C8H14INO2S and a molecular weight of 315.18 g/mol. Its IUPAC name is (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide.

Molecular Properties

Compound Name(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide
PubChem CID125463602
Molecular FormulaC8H14INO2S
Molecular Weight315.18 g/mol
Exact Mass314.98
IUPAC Name(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide
SMILESO=S1(=O)C[C@H](I)CC2(CCCC2)N1
InChIInChI=1S/C8H14INO2S/c9-7-5-8(3-1-2-4-8)10-13(11,12)6-7/h7,10H,1-6H2/t7-/m1/s1
InChIKeyGURXCODUADGKFL-SSDOTTSWSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide?
The IUPAC name of (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide (CID 125463602) is (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide.
What is the SMILES notation for (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide?
The canonical SMILES for (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide is O=S1(=O)C[C@H](I)CC2(CCCC2)N1.
What is the InChIKey of (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide?
The InChIKey is GURXCODUADGKFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14INO2S/c9-7-5-8(3-1-2-4-8)10-13(11,12)6-7/h7,10H,1-6H2/t7-/m1/s1.
What are the key properties of (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide?
(9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide has a molecular weight of 315.18 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-iodo-7λ6-thia-6-azaspiro[4.5]decane 7,7-dioxide is sourced from PubChem (CID 125463602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).