N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride

C11H24ClN3O3S — CID 120820193

IUPACN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCC(N)C(C)(C)C1)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-11(2)8-14(6-5-9(11)12)10(15)7-13(3)18(4,16)17;/h9H,5-8,12H2,1-4H3;1H
InChIKeyOLEOCEWCBNDXII-UHFFFAOYSA-N
MW313.85 g/mol
LogP-0.11
Rot. Bonds3

About N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride

N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 120820193) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID120820193
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC NameN-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CC(=O)N1CCC(N)C(C)(C)C1)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-11(2)8-14(6-5-9(11)12)10(15)7-13(3)18(4,16)17;/h9H,5-8,12H2,1-4H3;1H
InChIKeyOLEOCEWCBNDXII-UHFFFAOYSA-N
XLogP-0.11
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 120819040
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
N-[2-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 56765694
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 120820249
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride (CID 120820193) is N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride is CN(CC(=O)N1CCC(N)C(C)(C)C1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is OLEOCEWCBNDXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-11(2)8-14(6-5-9(11)12)10(15)7-13(3)18(4,16)17;/h9H,5-8,12H2,1-4H3;1H.
What are the key properties of N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride?
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 120820193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).