1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C15H21N3O3S — CID 7314915

IUPAC1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc21
InChIInChI=1S/C15H21N3O3S/c1-12(19)18-6-5-13-3-4-14(11-15(13)18)22(20,21)17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3
InChIKeyYVNOWNGCANSWIU-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.53
Rot. Bonds2

About 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7314915) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7314915
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc21
InChIInChI=1S/C15H21N3O3S/c1-12(19)18-6-5-13-3-4-14(11-15(13)18)22(20,21)17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3
InChIKeyYVNOWNGCANSWIU-UHFFFAOYSA-N
XLogP0.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 7314915) is 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc21.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is YVNOWNGCANSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-12(19)18-6-5-13-3-4-14(11-15(13)18)22(20,21)17-9-7-16(2)8-10-17/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 323.42 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7314915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).