N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide

C11H22N2O3S — CID 170580319

IUPACN-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide
SMILESCCCN(CC)S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O3S/c1-3-7-12(4-2)17(14,15)13-8-10-5-6-11(9-13)16-10/h10-11H,3-9H2,1-2H3
InChIKeyFKYNFTNIZSHGPU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.83
Rot. Bonds5

About N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide

N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide (PubChem CID 170580319) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide
PubChem CID170580319
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide
SMILESCCCN(CC)S(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O3S/c1-3-7-12(4-2)17(14,15)13-8-10-5-6-11(9-13)16-10/h10-11H,3-9H2,1-2H3
InChIKeyFKYNFTNIZSHGPU-UHFFFAOYSA-N
XLogP0.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide?
The IUPAC name of N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide (CID 170580319) is N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide?
The canonical SMILES for N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide is CCCN(CC)S(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide?
The InChIKey is FKYNFTNIZSHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-7-12(4-2)17(14,15)13-8-10-5-6-11(9-13)16-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide?
N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonamide is sourced from PubChem (CID 170580319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).