N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide

C11H22N2O2S — CID 121359027

IUPACN-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
SMILESCCNC12CCC(NS(C)(=O)=O)(CC1)CC2
InChIInChI=1S/C11H22N2O2S/c1-3-12-10-4-7-11(8-5-10,9-6-10)13-16(2,14)15/h12-13H,3-9H2,1-2H3
InChIKeyQLWJJVDABUJATF-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.99
Rot. Bonds4

About N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide

N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide (PubChem CID 121359027) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
PubChem CID121359027
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
SMILESCCNC12CCC(NS(C)(=O)=O)(CC1)CC2
InChIInChI=1S/C11H22N2O2S/c1-3-12-10-4-7-11(8-5-10,9-6-10)13-16(2,14)15/h12-13H,3-9H2,1-2H3
InChIKeyQLWJJVDABUJATF-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The IUPAC name of N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide (CID 121359027) is N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The canonical SMILES for N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide is CCNC12CCC(NS(C)(=O)=O)(CC1)CC2.
What is the InChIKey of N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The InChIKey is QLWJJVDABUJATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-12-10-4-7-11(8-5-10,9-6-10)13-16(2,14)15/h12-13H,3-9H2,1-2H3.
What are the key properties of N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide is sourced from PubChem (CID 121359027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).