2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide

C15H21N3O2S — CID 117166410

IUPAC2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)(C)c1nc2cccnc2n1CC1CCCS1(=O)=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)14-17-12-7-4-8-16-13(12)18(14)10-11-6-5-9-21(11,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyGFBIHBGLVUCTNR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.31
Rot. Bonds2

About 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide

2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117166410) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide
PubChem CID117166410
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESCC(C)(C)c1nc2cccnc2n1CC1CCCS1(=O)=O
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)14-17-12-7-4-8-16-13(12)18(14)10-11-6-5-9-21(11,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKeyGFBIHBGLVUCTNR-UHFFFAOYSA-N
XLogP2.31
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
CID 117159890
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
2-[[2-(2-chloroethyl)benzimidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 81040364
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117166391
tert-butyl (2R)-2-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 97172660
2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117166329
2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(ethylamino)pyridine-2-sulfonamide
CID 103306610
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
3-amino-2-[(1,1-dioxothiolan-2-yl)methyl]isoquinolin-1-one
CID 81039820
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 83858282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide (CID 117166410) is 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide is CC(C)(C)c1nc2cccnc2n1CC1CCCS1(=O)=O.
What is the InChIKey of 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is GFBIHBGLVUCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)14-17-12-7-4-8-16-13(12)18(14)10-11-6-5-9-21(11,19)20/h4,7-8,11H,5-6,9-10H2,1-3H3.
What are the key properties of 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 307.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylimidazo[4,5-b]pyridin-3-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117166410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).