3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine

C12H15N3O2S — CID 117146321

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(CC3CCS(=O)(=O)C3)ncc12
InChIInChI=1S/C12H15N3O2S/c13-10-2-1-4-15-11(10)7-14-12(15)6-9-3-5-18(16,17)8-9/h1-2,4,7,9H,3,5-6,8,13H2
InChIKeyRPPUTQKSFKISLZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.89
Rot. Bonds2

About 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine

3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine (PubChem CID 117146321) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
PubChem CID117146321
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(CC3CCS(=O)(=O)C3)ncc12
InChIInChI=1S/C12H15N3O2S/c13-10-2-1-4-15-11(10)7-14-12(15)6-9-3-5-18(16,17)8-9/h1-2,4,7,9H,3,5-6,8,13H2
InChIKeyRPPUTQKSFKISLZ-UHFFFAOYSA-N
XLogP0.89
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(8-methylimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117146320
3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridine-8-carbaldehyde
CID 117145951
[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145693
3-(oxolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-amine
CID 117146311
3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146774
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146656
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146657
3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
CID 117144291
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149495
3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151466
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
2-[2-[(1,1-dioxothiolan-3-yl)methyl]imidazol-1-yl]acetamide
CID 82559310

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine (CID 117146321) is 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine is Nc1cccn2c(CC3CCS(=O)(=O)C3)ncc12.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine?
The InChIKey is RPPUTQKSFKISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-10-2-1-4-15-11(10)7-14-12(15)6-9-3-5-18(16,17)8-9/h1-2,4,7,9H,3,5-6,8,13H2.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine?
3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine has a molecular weight of 265.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117146321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).