2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone

C15H18FN3O2S — CID 123386544

IUPAC2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
SMILESCS(=O)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(21)19-6-4-18(5-7-19)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyIIDFZCXCBXWPQA-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.29
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone

2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone (PubChem CID 123386544) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
PubChem CID123386544
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
SMILESCS(=O)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(21)19-6-4-18(5-7-19)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3
InChIKeyIIDFZCXCBXWPQA-UHFFFAOYSA-N
XLogP1.29
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 86878648
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
1-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 97096930
2-(6-chloro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110849782
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
(2R,3R)-1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116474
2-[1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-3-hydroxypiperidin-3-yl]acetamide
CID 154744665
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone (CID 123386544) is 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone is CS(=O)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone?
The InChIKey is IIDFZCXCBXWPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(21)19-6-4-18(5-7-19)15(20)8-11-10-17-14-9-12(16)2-3-13(11)14/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone?
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone has a molecular weight of 323.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone is sourced from PubChem (CID 123386544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).