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

C12H19N3O2S — CID 117153862

IUPAC2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESNC1CCc2nc(CC3CCS(=O)(=O)C3)cn2C1
InChIInChI=1S/C12H19N3O2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-18(16,17)8-9/h7,9-10H,1-6,8,13H2
InChIKeyIECOJZWFDADVKH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.13
Rot. Bonds2

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

2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 117153862) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID117153862
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESNC1CCc2nc(CC3CCS(=O)(=O)C3)cn2C1
InChIInChI=1S/C12H19N3O2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-18(16,17)8-9/h7,9-10H,1-6,8,13H2
InChIKeyIECOJZWFDADVKH-UHFFFAOYSA-N
XLogP0.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117154240
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153923
3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117155262
2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117154599
2-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117154617
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157702
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154691
2-[(6-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117154450
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
6-methyl-2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154258
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 117153862) is 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is NC1CCc2nc(CC3CCS(=O)(=O)C3)cn2C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is IECOJZWFDADVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-18(16,17)8-9/h7,9-10H,1-6,8,13H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 269.37 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 117153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).