5-(4-methylpiperazin-1-yl)sulfonylquinoline

C14H17N3O2S — CID 115599575

IUPAC5-(4-methylpiperazin-1-yl)sulfonylquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2-7H,8-11H2,1H3
InChIKeyZVUCQKIDOIZIRL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.17
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)sulfonylquinoline

5-(4-methylpiperazin-1-yl)sulfonylquinoline (PubChem CID 115599575) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonylquinoline
PubChem CID115599575
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonylquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2-7H,8-11H2,1H3
InChIKeyZVUCQKIDOIZIRL-UHFFFAOYSA-N
XLogP1.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
CID 114500121
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanol
CID 115745017
2-(1-quinolin-5-ylsulfonylpyrrolidin-3-yl)ethanamine
CID 114802283
5-(1-methylpyrazol-4-yl)sulfonylquinoline
CID 135388000
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylquinoline (CID 115599575) is 5-(4-methylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonylquinoline is CN1CCN(S(=O)(=O)c2cccc3ncccc23)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is ZVUCQKIDOIZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2-7H,8-11H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonylquinoline?
5-(4-methylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 291.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 115599575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).