N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide

C13H26N2O3S — CID 63288003

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)CCCOC
InChIInChI=1S/C13H26N2O3S/c1-3-15(19(16,17)8-4-7-18-2)13-9-11-5-6-12(10-13)14-11/h11-14H,3-10H2,1-2H3
InChIKeyFRNQWPVZJQBVJK-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide (PubChem CID 63288003) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
PubChem CID63288003
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)CCCOC
InChIInChI=1S/C13H26N2O3S/c1-3-15(19(16,17)8-4-7-18-2)13-9-11-5-6-12(10-13)14-11/h11-14H,3-10H2,1-2H3
InChIKeyFRNQWPVZJQBVJK-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide (CID 63288003) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)CCCOC.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The InChIKey is FRNQWPVZJQBVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-15(19(16,17)8-4-7-18-2)13-9-11-5-6-12(10-13)14-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63288003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).