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

C13H20N2O2S — CID 117155262

IUPAC3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCCc2nc(CC3CCS(=O)(=O)C3)cn21
InChIInChI=1S/C13H20N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyLDGHMFKEMMKPSD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds2

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

3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117155262) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
PubChem CID117155262
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCCc2nc(CC3CCS(=O)(=O)C3)cn21
InChIInChI=1S/C13H20N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3
InChIKeyLDGHMFKEMMKPSD-UHFFFAOYSA-N
XLogP1.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154691
5-methyl-2-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155315
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 117153862
3-[(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117154240
2-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 117157702
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 124510180
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087981
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
CID 117155290
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154692

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (CID 117155262) is 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is CC1CCCc2nc(CC3CCS(=O)(=O)C3)cn21.
What is the InChIKey of 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is LDGHMFKEMMKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-3-2-4-13-14-12(8-15(10)13)7-11-5-6-18(16,17)9-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).