3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide

C18H26N4O2S — CID 167896306

IUPAC3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(CN2CCN(Cc3cn4ccccc4n3)CC2)C1
InChIInChI=1S/C18H26N4O2S/c23-25(24)11-3-4-16(15-25)12-20-7-9-21(10-8-20)13-17-14-22-6-2-1-5-18(22)19-17/h1-2,5-6,14,16H,3-4,7-13,15H2
InChIKeyHJPQNZWLBXCTML-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.28
Rot. Bonds4

About 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide

3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide (PubChem CID 167896306) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
PubChem CID167896306
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCCC(CN2CCN(Cc3cn4ccccc4n3)CC2)C1
InChIInChI=1S/C18H26N4O2S/c23-25(24)11-3-4-16(15-25)12-20-7-9-21(10-8-20)13-17-14-22-6-2-1-5-18(22)19-17/h1-2,5-6,14,16H,3-4,7-13,15H2
InChIKeyHJPQNZWLBXCTML-UHFFFAOYSA-N
XLogP1.28
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The IUPAC name of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide (CID 167896306) is 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide is O=S1(=O)CCCC(CN2CCN(Cc3cn4ccccc4n3)CC2)C1.
What is the InChIKey of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
The InChIKey is HJPQNZWLBXCTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c23-25(24)11-3-4-16(15-25)12-20-7-9-21(10-8-20)13-17-14-22-6-2-1-5-18(22)19-17/h1-2,5-6,14,16H,3-4,7-13,15H2.
What are the key properties of 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide?
3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide has a molecular weight of 362.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide is sourced from PubChem (CID 167896306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).