N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide

C11H19N3O3S — CID 81178466

IUPACN-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCc1ccon1
InChIInChI=1S/C11H19N3O3S/c15-18(16,13-9-11-4-7-17-14-11)8-5-10-3-1-2-6-12-10/h4,7,10,12-13H,1-3,5-6,8-9H2
InChIKeyZVVHYHAVSMYRCU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.63
Rot. Bonds6

About N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide

N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 81178466) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID81178466
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCc1ccon1
InChIInChI=1S/C11H19N3O3S/c15-18(16,13-9-11-4-7-17-14-11)8-5-10-3-1-2-6-12-10/h4,7,10,12-13H,1-3,5-6,8-9H2
InChIKeyZVVHYHAVSMYRCU-UHFFFAOYSA-N
XLogP0.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62846320
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide (CID 81178466) is N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide is O=S(=O)(CCC1CCCCN1)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is ZVVHYHAVSMYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-18(16,13-9-11-4-7-17-14-11)8-5-10-3-1-2-6-12-10/h4,7,10,12-13H,1-3,5-6,8-9H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide?
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 81178466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).