1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one

C14H19N3O3S — CID 65448429

IUPAC1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CCN1
InChIInChI=1S/C14H19N3O3S/c1-10-9-17(6-5-15-10)21(19,20)12-3-4-13-11(7-12)8-14(18)16(13)2/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyLQCRZPKMRQHSDE-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.19
Rot. Bonds2

About 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one

1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one (PubChem CID 65448429) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
PubChem CID65448429
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CCN1
InChIInChI=1S/C14H19N3O3S/c1-10-9-17(6-5-15-10)21(19,20)12-3-4-13-11(7-12)8-14(18)16(13)2/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyLQCRZPKMRQHSDE-UHFFFAOYSA-N
XLogP0.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
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1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
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1-[5-(3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119981862
3-methyl-6-[(3S)-3-methylpiperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
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(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one (CID 65448429) is 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one is CC1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CCN1.
What is the InChIKey of 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The InChIKey is LQCRZPKMRQHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-9-17(6-5-15-10)21(19,20)12-3-4-13-11(7-12)8-14(18)16(13)2/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one is sourced from PubChem (CID 65448429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).