2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile

C22H24N4O2S — CID 24680083

IUPAC2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccccc4c3C#N)CC2)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-17-6-7-22(18(2)13-17)29(27,28)26-11-9-24(10-12-26)15-19-16-25-8-4-3-5-21(25)20(19)14-23/h3-8,13,16H,9-12,15H2,1-2H3
InChIKeyABIFFPJJEYTBMP-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.93
Rot. Bonds4

About 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile

2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 24680083) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID24680083
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccccc4c3C#N)CC2)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-17-6-7-22(18(2)13-17)29(27,28)26-11-9-24(10-12-26)15-19-16-25-8-4-3-5-21(25)20(19)14-23/h3-8,13,16H,9-12,15H2,1-2H3
InChIKeyABIFFPJJEYTBMP-UHFFFAOYSA-N
XLogP2.93
TPSA68.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 16582156
2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17399192
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17489935
3-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571985
2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17472695
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
CID 75402499
N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680074
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743
2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24674723

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 24680083) is 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile is Cc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccccc4c3C#N)CC2)c(C)c1.
What is the InChIKey of 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is ABIFFPJJEYTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-17-6-7-22(18(2)13-17)29(27,28)26-11-9-24(10-12-26)15-19-16-25-8-4-3-5-21(25)20(19)14-23/h3-8,13,16H,9-12,15H2,1-2H3.
What are the key properties of 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 408.53 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 24680083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).