2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

C16H26N2O2S — CID 79619745

IUPAC2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(CN)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)18-9-5-8-15(13-18)11-16(12-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyZLFFYKZBLSWUEQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.87
Rot. Bonds6

About 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (PubChem CID 79619745) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
PubChem CID79619745
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC(CN)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O2S/c1-21(19,20)18-9-5-8-15(13-18)11-16(12-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyZLFFYKZBLSWUEQ-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
2-(aminomethyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-ol
CID 79623080
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
4-(1-methylsulfonylpiperidin-3-yl)-2-phenylbutan-1-amine
CID 81011290
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
2-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619905
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
CID 115918066
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (CID 79619745) is 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is CS(=O)(=O)N1CCCC(CC(CN)Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The InChIKey is ZLFFYKZBLSWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-21(19,20)18-9-5-8-15(13-18)11-16(12-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 79619745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).