3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

C14H22N2O2S — CID 117154240

About 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117154240) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

• Compound Name: 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
• PubChem CID: 117154240
• Molecular Formula: C14H22N2O2S
• Molecular Weight: 282.41 g/mol
• Exact Mass: 282.14
• IUPAC Name: 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
• SMILES: CC1CCc2nc(CC3CCCS(=O)(=O)C3)cn2C1
• InChI: InChI=1S/C14H22N2O2S/c1-11-4-5-14-15-13(9-16(14)8-11)7-12-3-2-6-19(17,18)10-12/h9,11-12H,2-8,10H2,1H3
• InChIKey: IJAJKMWSILUDAF-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 51.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.41
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?

The IUPAC name of 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (CID 117154240) is 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

What is the SMILES notation for 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?

The canonical SMILES for 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is CC1CCc2nc(CC3CCCS(=O)(=O)C3)cn2C1.

What is the InChIKey of 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?

The InChIKey is IJAJKMWSILUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-5-14-15-13(9-16(14)8-11)7-12-3-2-6-19(17,18)10-12/h9,11-12H,2-8,10H2,1H3.

What are the key properties of 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?

3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 282.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).