(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide

C9H16INO2S — CID 125493289

IUPAC(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide
SMILESO=S1(=O)C[C@H](I)CC2(CCCCC2)N1
InChIInChI=1S/C9H16INO2S/c10-8-6-9(4-2-1-3-5-9)11-14(12,13)7-8/h8,11H,1-7H2/t8-/m1/s1
InChIKeyDMMJDKNGQNXCCT-MRVPVSSYSA-N
MW329.20 g/mol
LogP1.82
Rot. Bonds

About (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide

(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide (PubChem CID 125493289) has the molecular formula C9H16INO2S and a molecular weight of 329.20 g/mol. Its IUPAC name is (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide.

Molecular Properties

Compound Name(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide
PubChem CID125493289
Molecular FormulaC9H16INO2S
Molecular Weight329.20 g/mol
Exact Mass328.99
IUPAC Name(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide
SMILESO=S1(=O)C[C@H](I)CC2(CCCCC2)N1
InChIInChI=1S/C9H16INO2S/c10-8-6-9(4-2-1-3-5-9)11-14(12,13)7-8/h8,11H,1-7H2/t8-/m1/s1
InChIKeyDMMJDKNGQNXCCT-MRVPVSSYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.82
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 (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide?
The IUPAC name of (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide (CID 125493289) is (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide.
What is the SMILES notation for (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide?
The canonical SMILES for (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide is O=S1(=O)C[C@H](I)CC2(CCCCC2)N1.
What is the InChIKey of (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide?
The InChIKey is DMMJDKNGQNXCCT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16INO2S/c10-8-6-9(4-2-1-3-5-9)11-14(12,13)7-8/h8,11H,1-7H2/t8-/m1/s1.
What are the key properties of (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide?
(4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide has a molecular weight of 329.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-iodo-2λ6-thia-1-azaspiro[5.5]undecane 2,2-dioxide is sourced from PubChem (CID 125493289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).