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

C13H20N2O2S — CID 117157782

IUPAC3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21
InChIInChI=1S/C13H20N2O2S/c1-10-4-2-6-15-8-12(14-13(10)15)11-5-3-7-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyTWZFNKIRFSLGKO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.07
Rot. Bonds1

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

3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide (PubChem CID 117157782) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
PubChem CID117157782
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21
InChIInChI=1S/C13H20N2O2S/c1-10-4-2-6-15-8-12(14-13(10)15)11-5-3-7-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyTWZFNKIRFSLGKO-UHFFFAOYSA-N
XLogP2.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157783
2-(1-ethylpiperidin-3-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157804
8-methyl-2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157877
3-(8-methylimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117136320
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
(8R)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 96629769
8-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117158067
(8S)-2-(4-bromophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462803
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154718
(8R)-8-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462461
(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanol
CID 117157569
2-(2,2-dimethylpropyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117158196

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide (CID 117157782) is 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide is CC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21.
What is the InChIKey of 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide?
The InChIKey is TWZFNKIRFSLGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-2-6-15-8-12(14-13(10)15)11-5-3-7-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide?
3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide has a molecular weight of 268.38 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117157782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).