3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

C13H20N2O3S — CID 117151426

IUPAC3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESO=S1(=O)CCCCC1Cc1ncc2n1CCC(O)C2
InChIInChI=1S/C13H20N2O3S/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-19(12,17)18/h9,11-12,16H,1-8H2
InChIKeyNCIOUFWJOAZHMQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.70
Rot. Bonds2

About 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol

3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (PubChem CID 117151426) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
PubChem CID117151426
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
SMILESO=S1(=O)CCCCC1Cc1ncc2n1CCC(O)C2
InChIInChI=1S/C13H20N2O3S/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-19(12,17)18/h9,11-12,16H,1-8H2
InChIKeyNCIOUFWJOAZHMQ-UHFFFAOYSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.70
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-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol (CID 117151426) is 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is O=S1(=O)CCCCC1Cc1ncc2n1CCC(O)C2.
What is the InChIKey of 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
The InChIKey is NCIOUFWJOAZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-19(12,17)18/h9,11-12,16H,1-8H2.
What are the key properties of 3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol?
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol has a molecular weight of 284.38 g/mol, XLogP of 0.70, 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-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117151426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).