5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline

C15H19N3O2S — CID 63909819

IUPAC5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline
SMILESCC1CNCC(C)N1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c1-11-8-17-9-12(2)18(11)21(19,20)15-5-3-4-13-10-16-7-6-14(13)15/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyWOIFCOSWRUREMK-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.61
Rot. Bonds2

About 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline

5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline (PubChem CID 63909819) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline.

Molecular Properties

Compound Name5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline
PubChem CID63909819
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline
SMILESCC1CNCC(C)N1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c1-11-8-17-9-12(2)18(11)21(19,20)15-5-3-4-13-10-16-7-6-14(13)15/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyWOIFCOSWRUREMK-UHFFFAOYSA-N
XLogP1.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylpiperazin-1-yl)sulfonylisoquinoline
CID 13229178
5-(3,6-diazabicyclo[3.2.0]heptan-3-ylsulfonyl)isoquinoline
CID 126511189
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
3-(2,6-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63909044
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride
CID 120894905
5-[(6-butyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 22393189
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
5-[[(2S)-2-cyclopropyl-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
CID 166930531
2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
CID 142995207
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline?
The IUPAC name of 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline (CID 63909819) is 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline.
What is the SMILES notation for 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline?
The canonical SMILES for 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline is CC1CNCC(C)N1S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline?
The InChIKey is WOIFCOSWRUREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-8-17-9-12(2)18(11)21(19,20)15-5-3-4-13-10-16-7-6-14(13)15/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline?
5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline has a molecular weight of 305.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline is sourced from PubChem (CID 63909819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).