N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide

C10H20N2O2S — CID 165463571

IUPACN-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-10-4-8-3-9(5-10)11-6-8/h7-12H,3-6H2,1-2H3
InChIKeyZJUFVGUSDCJUPS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.45
Rot. Bonds3

About N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide

N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide (PubChem CID 165463571) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide
PubChem CID165463571
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-10-4-8-3-9(5-10)11-6-8/h7-12H,3-6H2,1-2H3
InChIKeyZJUFVGUSDCJUPS-UHFFFAOYSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.45
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)propane-2-sulfonamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide (CID 165463571) is N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC2CNC(C2)C1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide?
The InChIKey is ZJUFVGUSDCJUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)15(13,14)12-10-4-8-3-9(5-10)11-6-8/h7-12H,3-6H2,1-2H3.
What are the key properties of N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide?
N-(6-azabicyclo[3.2.1]octan-3-yl)propane-2-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.45, 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)propane-2-sulfonamide is sourced from PubChem (CID 165463571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).