2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

C12H19N3O2S — CID 117156451

IUPAC2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESNC1CCn2cc(C3CCS(=O)(=O)CC3)nc2C1
InChIInChI=1S/C12H19N3O2S/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-18(16,17)6-3-9/h8-10H,1-7,13H2
InChIKeySWFWEHXRJXBJQZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.45
Rot. Bonds1

About 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine

2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (PubChem CID 117156451) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
PubChem CID117156451
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
SMILESNC1CCn2cc(C3CCS(=O)(=O)CC3)nc2C1
InChIInChI=1S/C12H19N3O2S/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-18(16,17)6-3-9/h8-10H,1-7,13H2
InChIKeySWFWEHXRJXBJQZ-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine (CID 117156451) is 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is NC1CCn2cc(C3CCS(=O)(=O)CC3)nc2C1.
What is the InChIKey of 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
The InChIKey is SWFWEHXRJXBJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-1-4-15-8-11(14-12(15)7-10)9-2-5-18(16,17)6-3-9/h8-10H,1-7,13H2.
What are the key properties of 2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine?
2-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine has a molecular weight of 269.37 g/mol, XLogP of 0.45, 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-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 117156451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).