2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine

C14H18ClN3O2S — CID 62924166

IUPAC2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine
SMILESCC1(C)CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1
InChIInChI=1S/C14H18ClN3O2S/c1-14(2)6-9-17(10-7-14)21(19,20)13-12(15)16-11-5-3-4-8-18(11)13/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyFOUNMZCJZYBCJG-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine

2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine (PubChem CID 62924166) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine
PubChem CID62924166
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine
SMILESCC1(C)CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1
InChIInChI=1S/C14H18ClN3O2S/c1-14(2)6-9-17(10-7-14)21(19,20)13-12(15)16-11-5-3-4-8-18(11)13/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyFOUNMZCJZYBCJG-UHFFFAOYSA-N
XLogP2.80
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine (CID 62924166) is 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine is CC1(C)CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1.
What is the InChIKey of 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
The InChIKey is FOUNMZCJZYBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-14(2)6-9-17(10-7-14)21(19,20)13-12(15)16-11-5-3-4-8-18(11)13/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine?
2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine has a molecular weight of 327.84 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 62924166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).