3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole

C14H19N3O2S — CID 176872867

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole
SMILESCCN1CCN(S(=O)(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-2-16-7-9-17(10-8-16)20(18,19)14-11-15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyFKPQIYQZZOUPAZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.49
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole

3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole (PubChem CID 176872867) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole
PubChem CID176872867
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole
SMILESCCN1CCN(S(=O)(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-2-16-7-9-17(10-8-16)20(18,19)14-11-15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyFKPQIYQZZOUPAZ-UHFFFAOYSA-N
XLogP1.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
CID 175632553
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
3-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole
CID 110397518
3-methylsulfonyl-1H-indole
CID 86767790
3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086588
2-(4-ethylpiperazin-1-yl)sulfonylbenzenecarbothioamide
CID 29278925
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
1-ethyl-4-(2-phenylphenyl)sulfonyl-1,4-diazepane
CID 56541578
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 1150418
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659791

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole (CID 176872867) is 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole is CCN1CCN(S(=O)(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole?
The InChIKey is FKPQIYQZZOUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-16-7-9-17(10-8-16)20(18,19)14-11-15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole?
3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole has a molecular weight of 293.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole is sourced from PubChem (CID 176872867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).