N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide

C17H22N4O3S — CID 55655273

IUPACN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H22N4O3S/c1-2-11-25(23,24)20-13-7-9-21(10-8-13)17(22)16-12-18-14-5-3-4-6-15(14)19-16/h3-6,12-13,20H,2,7-11H2,1H3
InChIKeyCOOHEYMQZIFQCP-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.56
Rot. Bonds5

About N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55655273) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID55655273
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H22N4O3S/c1-2-11-25(23,24)20-13-7-9-21(10-8-13)17(22)16-12-18-14-5-3-4-6-15(14)19-16/h3-6,12-13,20H,2,7-11H2,1H3
InChIKeyCOOHEYMQZIFQCP-UHFFFAOYSA-N
XLogP1.56
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 121151967
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222

Frequently Asked Questions

What is the IUPAC name of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide (CID 55655273) is N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is COOHEYMQZIFQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-11-25(23,24)20-13-7-9-21(10-8-13)17(22)16-12-18-14-5-3-4-6-15(14)19-16/h3-6,12-13,20H,2,7-11H2,1H3.
What are the key properties of N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55655273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).