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

C12H18N2O3S — CID 117148291

IUPAC3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCC(c2ncc3n2CC(O)CC3)CC1
InChIInChI=1S/C12H18N2O3S/c15-11-2-1-10-7-13-12(14(10)8-11)9-3-5-18(16,17)6-4-9/h7,9,11,15H,1-6,8H2
InChIKeyABVNJPBCPYVBMQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.48
Rot. Bonds1

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

3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (PubChem CID 117148291) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
PubChem CID117148291
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
SMILESO=S1(=O)CCC(c2ncc3n2CC(O)CC3)CC1
InChIInChI=1S/C12H18N2O3S/c15-11-2-1-10-7-13-12(14(10)8-11)9-3-5-18(16,17)6-4-9/h7,9,11,15H,1-6,8H2
InChIKeyABVNJPBCPYVBMQ-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.48
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)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol (CID 117148291) is 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is O=S1(=O)CCC(c2ncc3n2CC(O)CC3)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
The InChIKey is ABVNJPBCPYVBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11-2-1-10-7-13-12(14(10)8-11)9-3-5-18(16,17)6-4-9/h7,9,11,15H,1-6,8H2.
What are the key properties of 3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol?
3-(1,1-dioxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol has a molecular weight of 270.35 g/mol, XLogP of 0.48, 1 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)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 117148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).