N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide

C8H15ClN2O2S — CID 165469414

IUPACN-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C8H15ClN2O2S/c9-5-14(12,13)11-8-2-6-1-7(3-8)10-4-6/h6-8,10-11H,1-5H2
InChIKeyAUEPLSJKZUSWGX-UHFFFAOYSA-N
MW238.74 g/mol
LogP0.24
Rot. Bonds3

About N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide

N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide (PubChem CID 165469414) has the molecular formula C8H15ClN2O2S and a molecular weight of 238.74 g/mol. Its IUPAC name is N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide
PubChem CID165469414
Molecular FormulaC8H15ClN2O2S
Molecular Weight238.74 g/mol
Exact Mass238.05
IUPAC NameN-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NC1CC2CNC(C2)C1
InChIInChI=1S/C8H15ClN2O2S/c9-5-14(12,13)11-8-2-6-1-7(3-8)10-4-6/h6-8,10-11H,1-5H2
InChIKeyAUEPLSJKZUSWGX-UHFFFAOYSA-N
XLogP0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide?
The IUPAC name of N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide (CID 165469414) is N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide is O=S(=O)(CCl)NC1CC2CNC(C2)C1.
What is the InChIKey of N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide?
The InChIKey is AUEPLSJKZUSWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2S/c9-5-14(12,13)11-8-2-6-1-7(3-8)10-4-6/h6-8,10-11H,1-5H2.
What are the key properties of N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide?
N-(6-azabicyclo[3.2.1]octan-3-yl)-1-chloromethanesulfonamide has a molecular weight of 238.74 g/mol, XLogP of 0.24, 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)-1-chloromethanesulfonamide is sourced from PubChem (CID 165469414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).