2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C13H22N4O2S — CID 120876597

IUPAC2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1NCCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1C
InChIInChI=1S/C13H22N4O2S/c1-10-11(2)17(8-6-14-10)20(18,19)13-9-16-7-4-3-5-12(16)15-13/h9-11,14H,3-8H2,1-2H3
InChIKeySJHKKPWFMIXZHR-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.59
Rot. Bonds2

About 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 120876597) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID120876597
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC1NCCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1C
InChIInChI=1S/C13H22N4O2S/c1-10-11(2)17(8-6-14-10)20(18,19)13-9-16-7-4-3-5-12(16)15-13/h9-11,14H,3-8H2,1-2H3
InChIKeySJHKKPWFMIXZHR-UHFFFAOYSA-N
XLogP0.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 120876597) is 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC1NCCN(S(=O)(=O)c2cn3c(n2)CCCC3)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is SJHKKPWFMIXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-11(2)17(8-6-14-10)20(18,19)13-9-16-7-4-3-5-12(16)15-13/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 298.41 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 120876597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).