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

C10H21N3O2S — CID 62738613

IUPACN-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C2CCC1CC(N)C2
InChIInChI=1S/C10H21N3O2S/c1-16(14,15)12-4-5-13-9-2-3-10(13)7-8(11)6-9/h8-10,12H,2-7,11H2,1H3
InChIKeyFTEAKMKMYGAMHY-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.51
Rot. Bonds4

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

N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide (PubChem CID 62738613) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide
PubChem CID62738613
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1C2CCC1CC(N)C2
InChIInChI=1S/C10H21N3O2S/c1-16(14,15)12-4-5-13-9-2-3-10(13)7-8(11)6-9/h8-10,12H,2-7,11H2,1H3
InChIKeyFTEAKMKMYGAMHY-UHFFFAOYSA-N
XLogP-0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]propyl]methanesulfonamide
CID 106338448
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
CID 106338262
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63960241
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
CID 61234096
9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79550721
8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104565118
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
CID 67571700
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide (CID 62738613) is N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1C2CCC1CC(N)C2.
What is the InChIKey of N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide?
The InChIKey is FTEAKMKMYGAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-16(14,15)12-4-5-13-9-2-3-10(13)7-8(11)6-9/h8-10,12H,2-7,11H2,1H3.
What are the key properties of N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide?
N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 62738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).