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

C12H18N2O3S — CID 117157702

IUPAC2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO=S1(=O)CCC(Cc2cn3c(n2)C(O)CCC3)C1
InChIInChI=1S/C12H18N2O3S/c15-11-2-1-4-14-7-10(13-12(11)14)6-9-3-5-18(16,17)8-9/h7,9,11,15H,1-6,8H2
InChIKeyJIMONVMIXOTCHB-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.69
Rot. Bonds2

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

2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (PubChem CID 117157702) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
PubChem CID117157702
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO=S1(=O)CCC(Cc2cn3c(n2)C(O)CCC3)C1
InChIInChI=1S/C12H18N2O3S/c15-11-2-1-4-14-7-10(13-12(11)14)6-9-3-5-18(16,17)8-9/h7,9,11,15H,1-6,8H2
InChIKeyJIMONVMIXOTCHB-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol with MolForge

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Related Compounds

2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157950
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157769
2-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117158259
2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157914
2-(2-aminoethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105439552
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153862
3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117155262
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154691
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117154240
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (CID 117157702) is 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is O=S1(=O)CCC(Cc2cn3c(n2)C(O)CCC3)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The InChIKey is JIMONVMIXOTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11-2-1-4-14-7-10(13-12(11)14)6-9-3-5-18(16,17)8-9/h7,9,11,15H,1-6,8H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol has a molecular weight of 270.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 117157702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).