3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

C22H27N3O2S — CID 126777230

IUPAC3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1cccn2c(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cnc12
InChIInChI=1S/C22H27N3O2S/c1-17-7-6-12-25-20(15-24-22(17)25)14-23-19-9-5-8-18(13-19)16-28(26,27)21-10-3-2-4-11-21/h5-9,12-13,15,21,23H,2-4,10-11,14,16H2,1H3
InChIKeyIUWJOBGCBUPQGF-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.50
Rot. Bonds6

About 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline

3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (PubChem CID 126777230) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
PubChem CID126777230
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
SMILESCc1cccn2c(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cnc12
InChIInChI=1S/C22H27N3O2S/c1-17-7-6-12-25-20(15-24-22(17)25)14-23-19-9-5-8-18(13-19)16-28(26,27)21-10-3-2-4-11-21/h5-9,12-13,15,21,23H,2-4,10-11,14,16H2,1H3
InChIKeyIUWJOBGCBUPQGF-UHFFFAOYSA-N
XLogP4.50
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The IUPAC name of 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline (CID 126777230) is 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is Cc1cccn2c(CNc3cccc(CS(=O)(=O)C4CCCCC4)c3)cnc12.
What is the InChIKey of 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
The InChIKey is IUWJOBGCBUPQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-17-7-6-12-25-20(15-24-22(17)25)14-23-19-9-5-8-18(13-19)16-28(26,27)21-10-3-2-4-11-21/h5-9,12-13,15,21,23H,2-4,10-11,14,16H2,1H3.
What are the key properties of 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline?
3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline has a molecular weight of 397.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfonylmethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 126777230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).