4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride

C11H21ClN2O3S — CID 158402337

IUPAC4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC(=O)C12CCC(CN)(CC1)CC2.Cl
InChIInChI=1S/C11H20N2O3S.ClH/c1-17(15,16)13-9(14)11-5-2-10(8-12,3-6-11)4-7-11;/h2-8,12H2,1H3,(H,13,14);1H
InChIKeyMIPHRLJEKACMFA-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.78
Rot. Bonds3

About 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride

4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride (PubChem CID 158402337) has the molecular formula C11H21ClN2O3S and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
PubChem CID158402337
Molecular FormulaC11H21ClN2O3S
Molecular Weight296.82 g/mol
Exact Mass296.10
IUPAC Name4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)NC(=O)C12CCC(CN)(CC1)CC2.Cl
InChIInChI=1S/C11H20N2O3S.ClH/c1-17(15,16)13-9(14)11-5-2-10(8-12,3-6-11)4-7-11;/h2-8,12H2,1H3,(H,13,14);1H
InChIKeyMIPHRLJEKACMFA-UHFFFAOYSA-N
XLogP0.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
CID 130368885
N-methylsulfonyl-1-[12-[1-(methylsulfonylcarbamoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxamide
CID 74220560
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
CID 134128339
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
3-amino-2-hydroxy-N-methylsulfonylpropanamide
CID 166957564
3-(methylamino)-N-methylsulfonyloxolane-3-carboxamide
CID 130571757
3-amino-N-methylsulfonylpropanamide
CID 14028235
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
CID 134128348
1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide
CID 103308017
2-amino-N-methylsulfonylbutanamide
CID 103287489

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride (CID 158402337) is 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride is CS(=O)(=O)NC(=O)C12CCC(CN)(CC1)CC2.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride?
The InChIKey is MIPHRLJEKACMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S.ClH/c1-17(15,16)13-9(14)11-5-2-10(8-12,3-6-11)4-7-11;/h2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride?
4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methylsulfonylbicyclo[2.2.2]octane-1-carboxamide;hydrochloride is sourced from PubChem (CID 158402337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).