N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide

C9H18N2O2S — CID 165463570

IUPACN-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-9-4-7-3-8(5-9)10-6-7/h7-11H,2-6H2,1H3
InChIKeyLOZPOHQRZOCTBQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.07
Rot. Bonds3

About N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide

N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide (PubChem CID 165463570) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide
PubChem CID165463570
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-9-4-7-3-8(5-9)10-6-7/h7-11H,2-6H2,1H3
InChIKeyLOZPOHQRZOCTBQ-UHFFFAOYSA-N
XLogP0.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide (CID 165463570) is N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CC2CNC(C2)C1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide?
The InChIKey is LOZPOHQRZOCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14(12,13)11-9-4-7-3-8(5-9)10-6-7/h7-11H,2-6H2,1H3.
What are the key properties of N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide?
N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide is sourced from PubChem (CID 165463570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).