3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

C13H21N3O2S — CID 117148392

IUPAC3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCS(=O)(=O)CC3)n2C1
InChIInChI=1S/C13H21N3O2S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-19(17,18)6-4-10/h8,10-11H,1-7,9,14H2
InChIKeyBVYFGGZLNVDJFJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.52
Rot. Bonds2

About 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117148392) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117148392
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2cnc(CC3CCS(=O)(=O)CC3)n2C1
InChIInChI=1S/C13H21N3O2S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-19(17,18)6-4-10/h8,10-11H,1-7,9,14H2
InChIKeyBVYFGGZLNVDJFJ-UHFFFAOYSA-N
XLogP0.52
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117148392) is 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2cnc(CC3CCS(=O)(=O)CC3)n2C1.
What is the InChIKey of 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is BVYFGGZLNVDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-11-1-2-12-8-15-13(16(12)9-11)7-10-3-5-19(17,18)6-4-10/h8,10-11H,1-7,9,14H2.
What are the key properties of 3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
3-[(1,1-dioxothian-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 283.40 g/mol, XLogP of 0.52, 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)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117148392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).