5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C15H21N3O3S — CID 110662434

IUPAC5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC(C)N1C
InChIInChI=1S/C15H21N3O3S/c1-10-8-18(9-11(2)17(10)3)22(20,21)13-4-5-14-12(6-13)7-15(19)16-14/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)
InChIKeyISNKNCIREQSUAP-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.89
Rot. Bonds2

About 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110662434) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110662434
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC(C)N1C
InChIInChI=1S/C15H21N3O3S/c1-10-8-18(9-11(2)17(10)3)22(20,21)13-4-5-14-12(6-13)7-15(19)16-14/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)
InChIKeyISNKNCIREQSUAP-UHFFFAOYSA-N
XLogP0.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
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5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-isoindole
CID 107422451
5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110725492
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110293129
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110720855

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110662434) is 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC(C)N1C.
What is the InChIKey of 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is ISNKNCIREQSUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10-8-18(9-11(2)17(10)3)22(20,21)13-4-5-14-12(6-13)7-15(19)16-14/h4-6,10-11H,7-9H2,1-3H3,(H,16,19).
What are the key properties of 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 323.42 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110662434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).