N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide

C11H22N2O2S — CID 61355216

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2O2S/c1-3-16(14,15)12-8-9-6-10-4-5-11(7-9)13(10)2/h9-12H,3-8H2,1-2H3
InChIKeyJSYLLENLAXUYFY-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.80
Rot. Bonds4

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide (PubChem CID 61355216) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide
PubChem CID61355216
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C11H22N2O2S/c1-3-16(14,15)12-8-9-6-10-4-5-11(7-9)13(10)2/h9-12H,3-8H2,1-2H3
InChIKeyJSYLLENLAXUYFY-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61013272
5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61126567
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
CID 61012057
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]cyclopentan-1-amine
CID 64501752
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704083
methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
CID 66173751
2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
CID 54898471
N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093619

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide (CID 61355216) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide?
The InChIKey is JSYLLENLAXUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-16(14,15)12-8-9-6-10-4-5-11(7-9)13(10)2/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 61355216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).