N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide

C13H27N3O2S — CID 106338448

IUPACN-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide
SMILESCCNC1CC2CCC(C1)N2CCCNS(C)(=O)=O
InChIInChI=1S/C13H27N3O2S/c1-3-14-11-9-12-5-6-13(10-11)16(12)8-4-7-15-19(2,17)18/h11-15H,3-10H2,1-2H3
InChIKeyJIXAJYGGNPKMJW-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.53
Rot. Bonds7

About N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide

N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide (PubChem CID 106338448) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide
PubChem CID106338448
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide
SMILESCCNC1CC2CCC(C1)N2CCCNS(C)(=O)=O
InChIInChI=1S/C13H27N3O2S/c1-3-14-11-9-12-5-6-13(10-11)16(12)8-4-7-15-19(2,17)18/h11-15H,3-10H2,1-2H3
InChIKeyJIXAJYGGNPKMJW-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.53
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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Related Compounds

N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039612
N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide
CID 62738613
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 64578760
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106812
N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
CID 106338262
N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738316
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
N-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
CID 103827919
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide (CID 106338448) is N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide is CCNC1CC2CCC(C1)N2CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide?
The InChIKey is JIXAJYGGNPKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-14-11-9-12-5-6-13(10-11)16(12)8-4-7-15-19(2,17)18/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide?
N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide is sourced from PubChem (CID 106338448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).