N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide

C11H23N3O2S — CID 43131793

IUPACN-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
SMILESCN1C2CCC1CC(NCCNS(C)(=O)=O)C2
InChIInChI=1S/C11H23N3O2S/c1-14-10-3-4-11(14)8-9(7-10)12-5-6-13-17(2,15)16/h9-13H,3-8H2,1-2H3
InChIKeyBUKNKNUXWQDNHW-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide

N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide (PubChem CID 43131793) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
PubChem CID43131793
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
SMILESCN1C2CCC1CC(NCCNS(C)(=O)=O)C2
InChIInChI=1S/C11H23N3O2S/c1-14-10-3-4-11(14)8-9(7-10)12-5-6-13-17(2,15)16/h9-13H,3-8H2,1-2H3
InChIKeyBUKNKNUXWQDNHW-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide (CID 43131793) is N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide is CN1C2CCC1CC(NCCNS(C)(=O)=O)C2.
What is the InChIKey of N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide?
The InChIKey is BUKNKNUXWQDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-14-10-3-4-11(14)8-9(7-10)12-5-6-13-17(2,15)16/h9-13H,3-8H2,1-2H3.
What are the key properties of N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide?
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43131793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).