N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide

C18H21N5O3S — CID 72878212

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ncon2)C1)c1cccc2cccnc12
InChIInChI=1S/C18H21N5O3S/c24-27(25,16-7-1-5-15-6-2-8-19-18(15)16)21-10-14-4-3-9-23(11-14)12-17-20-13-26-22-17/h1-2,5-8,13-14,21H,3-4,9-12H2
InChIKeyKXJGLTKWZUBSQY-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.81
Rot. Bonds6

About N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 72878212) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID72878212
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ncon2)C1)c1cccc2cccnc12
InChIInChI=1S/C18H21N5O3S/c24-27(25,16-7-1-5-15-6-2-8-19-18(15)16)21-10-14-4-3-9-23(11-14)12-17-20-13-26-22-17/h1-2,5-8,13-14,21H,3-4,9-12H2
InChIKeyKXJGLTKWZUBSQY-UHFFFAOYSA-N
XLogP1.81
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45178644
N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45210111
N-[[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42193690
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 97268124
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 72891106
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 55259133
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (CID 72878212) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is O=S(=O)(NCC1CCCN(Cc2ncon2)C1)c1cccc2cccnc12.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is KXJGLTKWZUBSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-27(25,16-7-1-5-15-6-2-8-19-18(15)16)21-10-14-4-3-9-23(11-14)12-17-20-13-26-22-17/h1-2,5-8,13-14,21H,3-4,9-12H2.
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 72878212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).