3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole

C14H19N3O2S — CID 878346

IUPAC3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
SMILESCS(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)17-8-6-16(7-9-17)11-12-10-15-14-5-3-2-4-13(12)14/h2-5,10,15H,6-9,11H2,1H3
InChIKeyXFBRKHIIDPAGGA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.25
Rot. Bonds3

About 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole

3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 878346) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
PubChem CID878346
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
SMILESCS(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)17-8-6-16(7-9-17)11-12-10-15-14-5-3-2-4-13(12)14/h2-5,10,15H,6-9,11H2,1H3
InChIKeyXFBRKHIIDPAGGA-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 1150418
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
3-[[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-indole
CID 110397518
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
N-[(2S)-4-(1H-indol-3-yl)butan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 95221627
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126404
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 110608436

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole (CID 878346) is 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole is CS(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is XFBRKHIIDPAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20(18,19)17-8-6-16(7-9-17)11-12-10-15-14-5-3-2-4-13(12)14/h2-5,10,15H,6-9,11H2,1H3.
What are the key properties of 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole?
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 293.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 878346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).