1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone

C14H26N2O3S — CID 120819040

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
SMILESCC1(C)CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCC1N
InChIInChI=1S/C14H26N2O3S/c1-13(2)9-16(7-4-11(13)15)12(17)8-14(5-6-14)10-20(3,18)19/h11H,4-10,15H2,1-3H3
InChIKeyZYKYVQZWOPPEEB-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.79
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone (PubChem CID 120819040) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
PubChem CID120819040
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
SMILESCC1(C)CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCC1N
InChIInChI=1S/C14H26N2O3S/c1-13(2)9-16(7-4-11(13)15)12(17)8-14(5-6-14)10-20(3,18)19/h11H,4-10,15H2,1-3H3
InChIKeyZYKYVQZWOPPEEB-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide;hydrochloride
CID 120820193
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride
CID 120814877
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-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3,3-dimethylpentan-1-one;hydrochloride
CID 120819086
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120818811
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 120817801
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone (CID 120819040) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone is CC1(C)CN(C(=O)CC2(CS(C)(=O)=O)CC2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
The InChIKey is ZYKYVQZWOPPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-13(2)9-16(7-4-11(13)15)12(17)8-14(5-6-14)10-20(3,18)19/h11H,4-10,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone has a molecular weight of 302.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone is sourced from PubChem (CID 120819040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).