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

C13H20N2O3S — CID 117157950

IUPAC2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO=S1(=O)CCCCC1Cc1cn2c(n1)C(O)CCC2
InChIInChI=1S/C13H20N2O3S/c16-12-5-3-6-15-9-10(14-13(12)15)8-11-4-1-2-7-19(11,17)18/h9,11-12,16H,1-8H2
InChIKeyDLKRBUIXFXKQAG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.22
Rot. Bonds2

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

2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (PubChem CID 117157950) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
PubChem CID117157950
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO=S1(=O)CCCCC1Cc1cn2c(n1)C(O)CCC2
InChIInChI=1S/C13H20N2O3S/c16-12-5-3-6-15-9-10(14-13(12)15)8-11-4-1-2-7-19(11,17)18/h9,11-12,16H,1-8H2
InChIKeyDLKRBUIXFXKQAG-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157702
2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157914
2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117158259
2-(2-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105439552
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157769
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117129937
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-[(1,1-dioxothiolan-2-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129794
2-[(1,1-dioxothian-2-yl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117136819
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151426
3-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083344

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (CID 117157950) is 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is O=S1(=O)CCCCC1Cc1cn2c(n1)C(O)CCC2.
What is the InChIKey of 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The InChIKey is DLKRBUIXFXKQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-12-5-3-6-15-9-10(14-13(12)15)8-11-4-1-2-7-19(11,17)18/h9,11-12,16H,1-8H2.
What are the key properties of 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol has a molecular weight of 284.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 117157950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).