3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C16H24N4O3S — CID 120875600

IUPAC3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnc2onc(CC)c2c1
InChIInChI=1S/C16H24N4O3S/c1-3-9-20(12-5-7-17-8-6-12)24(21,22)13-10-14-15(4-2)19-23-16(14)18-11-13/h10-12,17H,3-9H2,1-2H3
InChIKeyJERHDJXMNMVEBU-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.94
Rot. Bonds6

About 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 120875600) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID120875600
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnc2onc(CC)c2c1
InChIInChI=1S/C16H24N4O3S/c1-3-9-20(12-5-7-17-8-6-12)24(21,22)13-10-14-15(4-2)19-23-16(14)18-11-13/h10-12,17H,3-9H2,1-2H3
InChIKeyJERHDJXMNMVEBU-UHFFFAOYSA-N
XLogP1.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993772
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993659

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 120875600) is 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cnc2onc(CC)c2c1.
What is the InChIKey of 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is JERHDJXMNMVEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-9-20(12-5-7-17-8-6-12)24(21,22)13-10-14-15(4-2)19-23-16(14)18-11-13/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 120875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).