5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine

C6H10INO2S — CID 89474231

IUPAC5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)(=O)C1CNC=C(I)C1
InChIInChI=1S/C6H10INO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h3,6,8H,2,4H2,1H3
InChIKeySLTSNIFMZDAWMF-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.67
Rot. Bonds1

About 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine

5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine (PubChem CID 89474231) has the molecular formula C6H10INO2S and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine
PubChem CID89474231
Molecular FormulaC6H10INO2S
Molecular Weight287.12 g/mol
Exact Mass286.95
IUPAC Name5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine
SMILESCS(=O)(=O)C1CNC=C(I)C1
InChIInChI=1S/C6H10INO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h3,6,8H,2,4H2,1H3
InChIKeySLTSNIFMZDAWMF-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine (CID 89474231) is 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine is CS(=O)(=O)C1CNC=C(I)C1.
What is the InChIKey of 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine?
The InChIKey is SLTSNIFMZDAWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h3,6,8H,2,4H2,1H3.
What are the key properties of 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine?
5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine has a molecular weight of 287.12 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methylsulfonyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 89474231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).