N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide

C11H17N3O3S — CID 138018082

IUPACN-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESO=S(=O)(NCCc1cnoc1)N1CC2CCC1C2
InChIInChI=1S/C11H17N3O3S/c15-18(16,13-4-3-10-6-12-17-8-10)14-7-9-1-2-11(14)5-9/h6,8-9,11,13H,1-5,7H2
InChIKeyJUCZNLBLKZGYLZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.54
Rot. Bonds5

About N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide

N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 138018082) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID138018082
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide
SMILESO=S(=O)(NCCc1cnoc1)N1CC2CCC1C2
InChIInChI=1S/C11H17N3O3S/c15-18(16,13-4-3-10-6-12-17-8-10)14-7-9-1-2-11(14)5-9/h6,8-9,11,13H,1-5,7H2
InChIKeyJUCZNLBLKZGYLZ-UHFFFAOYSA-N
XLogP0.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide (CID 138018082) is N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide is O=S(=O)(NCCc1cnoc1)N1CC2CCC1C2.
What is the InChIKey of N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is JUCZNLBLKZGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c15-18(16,13-4-3-10-6-12-17-8-10)14-7-9-1-2-11(14)5-9/h6,8-9,11,13H,1-5,7H2.
What are the key properties of N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide?
N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-4-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 138018082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).