2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine

C14H30N2O2S — CID 79407079

IUPAC2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C14H30N2O2S/c1-6-8-15-14-7-9-16(13(4)12(14)3)11(2)10-19(5,17)18/h11-15H,6-10H2,1-5H3
InChIKeyZOYBFUHZKJSERY-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds6

About 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine (PubChem CID 79407079) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
PubChem CID79407079
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C14H30N2O2S/c1-6-8-15-14-7-9-16(13(4)12(14)3)11(2)10-19(5,17)18/h11-15H,6-10H2,1-5H3
InChIKeyZOYBFUHZKJSERY-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 64643789
2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
CID 79413585
2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
CID 79413405
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
CID 113466578
2,3-dimethyl-1-(2-methylbutan-2-yl)-N-propylpiperidin-4-amine
CID 79398269
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
2,3-dimethyl-N-propyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 79406592
1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413433
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397422
2,3-dimethyl-N-propyl-1-(4-propylcyclohexyl)piperidin-4-amine
CID 79413411

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine (CID 79407079) is 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is ZOYBFUHZKJSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-8-15-14-7-9-16(13(4)12(14)3)11(2)10-19(5,17)18/h11-15H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 79407079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).