1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C16H26N2O2S — CID 105011134

IUPAC1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCc1ccccc1C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O2S/c1-3-14-8-4-5-9-15(14)16(17)11-13-7-6-10-18(12-13)21(2,19)20/h4-5,8-9,13,16H,3,6-7,10-12,17H2,1-2H3
InChIKeyOMIMMWPAQPCHET-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.31
Rot. Bonds5

About 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 105011134) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID105011134
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCc1ccccc1C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O2S/c1-3-14-8-4-5-9-15(14)16(17)11-13-7-6-10-18(12-13)21(2,19)20/h4-5,8-9,13,16H,3,6-7,10-12,17H2,1-2H3
InChIKeyOMIMMWPAQPCHET-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(5-bromofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011114
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011071

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 105011134) is 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CCc1ccccc1C(N)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is OMIMMWPAQPCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-14-8-4-5-9-15(14)16(17)11-13-7-6-10-18(12-13)21(2,19)20/h4-5,8-9,13,16H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 105011134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).