4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide

C10H12INO2S — CID 134601073

IUPAC4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(I)nc2)CC1
InChIInChI=1S/C10H12INO2S/c11-10-2-1-9(7-12-10)8-3-5-15(13,14)6-4-8/h1-2,7-8H,3-6H2
InChIKeyMEPRNPHIHJZYNX-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.98
Rot. Bonds1

About 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide

4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide (PubChem CID 134601073) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide
PubChem CID134601073
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC Name4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(I)nc2)CC1
InChIInChI=1S/C10H12INO2S/c11-10-2-1-9(7-12-10)8-3-5-15(13,14)6-4-8/h1-2,7-8H,3-6H2
InChIKeyMEPRNPHIHJZYNX-UHFFFAOYSA-N
XLogP1.98
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide?
The IUPAC name of 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide (CID 134601073) is 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide is O=S1(=O)CCC(c2ccc(I)nc2)CC1.
What is the InChIKey of 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide?
The InChIKey is MEPRNPHIHJZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c11-10-2-1-9(7-12-10)8-3-5-15(13,14)6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide?
4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide has a molecular weight of 337.18 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodo-3-pyridinyl)thiane 1,1-dioxide is sourced from PubChem (CID 134601073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).