2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

C12H19N3O2S — CID 117157783

IUPAC2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESNC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21
InChIInChI=1S/C12H19N3O2S/c13-10-4-1-5-15-7-11(14-12(10)15)9-3-2-6-18(16,17)8-9/h7,9-10H,1-6,8,13H2
InChIKeyAPAXMTWXKKRBMC-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.97
Rot. Bonds1

About 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (PubChem CID 117157783) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
PubChem CID117157783
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESNC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21
InChIInChI=1S/C12H19N3O2S/c13-10-4-1-5-15-7-11(14-12(10)15)9-3-2-6-18(16,17)8-9/h7,9-10H,1-6,8,13H2
InChIKeyAPAXMTWXKKRBMC-UHFFFAOYSA-N
XLogP0.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117157782
(8R)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 96629769
2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157625
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
(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanol
CID 117157569
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154718
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115049588
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157702
3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152584
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (CID 117157783) is 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is NC1CCCn2cc(C3CCCS(=O)(=O)C3)nc21.
What is the InChIKey of 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The InChIKey is APAXMTWXKKRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-4-1-5-15-7-11(14-12(10)15)9-3-2-6-18(16,17)8-9/h7,9-10H,1-6,8,13H2.
What are the key properties of 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine has a molecular weight of 269.37 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 117157783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).