3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide

C10H11N3O2S — CID 64906009

IUPAC3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C10H11N3O2S/c14-16(15)4-2-7(6-16)10-12-8-1-3-11-5-9(8)13-10/h1,3,5,7H,2,4,6H2,(H,12,13)
InChIKeyLILCIRVOPDCOEN-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.86
Rot. Bonds1

About 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide

3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide (PubChem CID 64906009) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide
PubChem CID64906009
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C10H11N3O2S/c14-16(15)4-2-7(6-16)10-12-8-1-3-11-5-9(8)13-10/h1,3,5,7H,2,4,6H2,(H,12,13)
InChIKeyLILCIRVOPDCOEN-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide (CID 64906009) is 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2nc3ccncc3[nH]2)C1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide?
The InChIKey is LILCIRVOPDCOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-16(15)4-2-7(6-16)10-12-8-1-3-11-5-9(8)13-10/h1,3,5,7H,2,4,6H2,(H,12,13).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide?
3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide has a molecular weight of 237.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]pyridin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64906009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).