N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide

C17H23N3O2S — CID 5053869

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H23N3O2S/c1-14-7-11-20(12-8-14)13-10-19-23(21,22)16-6-2-4-15-5-3-9-18-17(15)16/h2-6,9,14,19H,7-8,10-13H2,1H3
InChIKeyZVYLSXBMKQFDPL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide

N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 5053869) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
PubChem CID5053869
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
SMILESCC1CCN(CCNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H23N3O2S/c1-14-7-11-20(12-8-14)13-10-19-23(21,22)16-6-2-4-15-5-3-9-18-17(15)16/h2-6,9,14,19H,7-8,10-13H2,1H3
InChIKeyZVYLSXBMKQFDPL-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide (CID 5053869) is N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide is CC1CCN(CCNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is ZVYLSXBMKQFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-14-7-11-20(12-8-14)13-10-19-23(21,22)16-6-2-4-15-5-3-9-18-17(15)16/h2-6,9,14,19H,7-8,10-13H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 5053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).