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

C10H20N2O2S — CID 121360861

IUPACN-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
SMILESCNC12CCC(NS(C)(=O)=O)(CC1)CC2
InChIInChI=1S/C10H20N2O2S/c1-11-9-3-6-10(7-4-9,8-5-9)12-15(2,13)14/h11-12H,3-8H2,1-2H3
InChIKeyJBSHRKWBFBKQFM-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.60
Rot. Bonds3

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

N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide (PubChem CID 121360861) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
PubChem CID121360861
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
SMILESCNC12CCC(NS(C)(=O)=O)(CC1)CC2
InChIInChI=1S/C10H20N2O2S/c1-11-9-3-6-10(7-4-9,8-5-9)12-15(2,13)14/h11-12H,3-8H2,1-2H3
InChIKeyJBSHRKWBFBKQFM-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-4-(dimethylsulfamoylamino)bicyclo[2.2.2]octane
CID 59559738
N-[4-(ethylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
CID 121359027
N-[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
CID 132012377
N-[4-(disulfanylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide
CID 132012428

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The IUPAC name of N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide (CID 121360861) is N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide.
What is the SMILES notation for N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The canonical SMILES for N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide is CNC12CCC(NS(C)(=O)=O)(CC1)CC2.
What is the InChIKey of N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
The InChIKey is JBSHRKWBFBKQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-9-3-6-10(7-4-9,8-5-9)12-15(2,13)14/h11-12H,3-8H2,1-2H3.
What are the key properties of N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide?
N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)-1-bicyclo[2.2.2]octanyl]methanesulfonamide is sourced from PubChem (CID 121360861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).