N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide

C15H28N2O2S — CID 105361380

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H28N2O2S/c1-2-9-17(20(18,19)15-5-3-4-6-15)14-10-12-7-8-13(11-14)16-12/h12-16H,2-11H2,1H3
InChIKeyMKFJJIUWLPHBJG-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.25
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide (PubChem CID 105361380) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
PubChem CID105361380
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H28N2O2S/c1-2-9-17(20(18,19)15-5-3-4-6-15)14-10-12-7-8-13(11-14)16-12/h12-16H,2-11H2,1H3
InChIKeyMKFJJIUWLPHBJG-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide (CID 105361380) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide?
The InChIKey is MKFJJIUWLPHBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-2-9-17(20(18,19)15-5-3-4-6-15)14-10-12-7-8-13(11-14)16-12/h12-16H,2-11H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide has a molecular weight of 300.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide is sourced from PubChem (CID 105361380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).