[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine

C14H19N3O2S — CID 117145693

IUPAC[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(CC3CCS(=O)(=O)CC3)ncc12
InChIInChI=1S/C14H19N3O2S/c15-9-12-2-1-5-17-13(12)10-16-14(17)8-11-3-6-20(18,19)7-4-11/h1-2,5,10-11H,3-4,6-9,15H2
InChIKeyXCKHENCZGDIFEM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.16
Rot. Bonds3

About [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine

[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine (PubChem CID 117145693) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
PubChem CID117145693
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(CC3CCS(=O)(=O)CC3)ncc12
InChIInChI=1S/C14H19N3O2S/c15-9-12-2-1-5-17-13(12)10-16-14(17)8-11-3-6-20(18,19)7-4-11/h1-2,5,10-11H,3-4,6-9,15H2
InChIKeyXCKHENCZGDIFEM-UHFFFAOYSA-N
XLogP1.16
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146321
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-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145785
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146384
(3-bromoimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83839815
(3-cyclohexylimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83840214
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
4-[[8-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]methyl]phenol
CID 117145848
8-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146338
3-(oxolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-amine
CID 117146311
methyl 3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 117147463

Frequently Asked Questions

What is the IUPAC name of [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine (CID 117145693) is [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine is NCc1cccn2c(CC3CCS(=O)(=O)CC3)ncc12.
What is the InChIKey of [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine?
The InChIKey is XCKHENCZGDIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-9-12-2-1-5-17-13(12)10-16-14(17)8-11-3-6-20(18,19)7-4-11/h1-2,5,10-11H,3-4,6-9,15H2.
What are the key properties of [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine?
[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).