[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine

C13H17N3O2S — CID 117138194

IUPAC[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2cnc(C3CCS(=O)(=O)CC3)n2c1
InChIInChI=1S/C13H17N3O2S/c14-7-10-1-2-12-8-15-13(16(12)9-10)11-3-5-19(17,18)6-4-11/h1-2,8-9,11H,3-7,14H2
InChIKeyNYWOBKZBEFEUKA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.09
Rot. Bonds2

About [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine

[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117138194) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117138194
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2cnc(C3CCS(=O)(=O)CC3)n2c1
InChIInChI=1S/C13H17N3O2S/c14-7-10-1-2-12-8-15-13(16(12)9-10)11-3-5-19(17,18)6-4-11/h1-2,8-9,11H,3-7,14H2
InChIKeyNYWOBKZBEFEUKA-UHFFFAOYSA-N
XLogP1.09
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

(3-piperidin-4-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138198
[3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138203
(3-pyrrolidin-3-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138184
2-(3-cyclopropylimidazo[1,5-a]pyridin-6-yl)acetaldehyde
CID 83880672
(3-piperidin-2-ylimidazo[1,5-a]pyridin-6-yl)methanamine
CID 117138268
1-(3-cyclopropylimidazo[1,5-a]pyridin-6-yl)propan-2-one
CID 83835502
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138269
[3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138282
(3-cyclohexylimidazo[1,5-a]pyridin-7-yl)methanamine
CID 83840212
(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866625
1-(3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanamine
CID 83831908
[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143209

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine (CID 117138194) is [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2cnc(C3CCS(=O)(=O)CC3)n2c1.
What is the InChIKey of [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is NYWOBKZBEFEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-7-10-1-2-12-8-15-13(16(12)9-10)11-3-5-19(17,18)6-4-11/h1-2,8-9,11H,3-7,14H2.
What are the key properties of [3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine?
[3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 279.37 g/mol, XLogP of 1.09, 2 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)imidazo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117138194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).