2-(azetidin-3-ylsulfonyl)-1-methylimidazole

C7H11N3O2S — CID 71777936

IUPAC2-(azetidin-3-ylsulfonyl)-1-methylimidazole
SMILESCn1ccnc1S(=O)(=O)C1CNC1
InChIInChI=1S/C7H11N3O2S/c1-10-3-2-9-7(10)13(11,12)6-4-8-5-6/h2-3,6,8H,4-5H2,1H3
InChIKeyODZUYLJLFXBDFG-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.83
Rot. Bonds2

About 2-(azetidin-3-ylsulfonyl)-1-methylimidazole

2-(azetidin-3-ylsulfonyl)-1-methylimidazole (PubChem CID 71777936) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfonyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfonyl)-1-methylimidazole
PubChem CID71777936
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(azetidin-3-ylsulfonyl)-1-methylimidazole
SMILESCn1ccnc1S(=O)(=O)C1CNC1
InChIInChI=1S/C7H11N3O2S/c1-10-3-2-9-7(10)13(11,12)6-4-8-5-6/h2-3,6,8H,4-5H2,1H3
InChIKeyODZUYLJLFXBDFG-UHFFFAOYSA-N
XLogP-0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfonyl)-1-methylimidazole?
The IUPAC name of 2-(azetidin-3-ylsulfonyl)-1-methylimidazole (CID 71777936) is 2-(azetidin-3-ylsulfonyl)-1-methylimidazole.
What is the SMILES notation for 2-(azetidin-3-ylsulfonyl)-1-methylimidazole?
The canonical SMILES for 2-(azetidin-3-ylsulfonyl)-1-methylimidazole is Cn1ccnc1S(=O)(=O)C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylsulfonyl)-1-methylimidazole?
The InChIKey is ODZUYLJLFXBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10-3-2-9-7(10)13(11,12)6-4-8-5-6/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylsulfonyl)-1-methylimidazole?
2-(azetidin-3-ylsulfonyl)-1-methylimidazole has a molecular weight of 201.25 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfonyl)-1-methylimidazole is sourced from PubChem (CID 71777936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).