1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C15H25N3O2S — CID 82732453

IUPAC1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCc1cccnc1C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-3-13-7-4-8-17-15(13)14(16)10-12-6-5-9-18(11-12)21(2,19)20/h4,7-8,12,14H,3,5-6,9-11,16H2,1-2H3
InChIKeyQWUVOHKMCKDLJJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.71
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 82732453) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID82732453
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCCc1cccnc1C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H25N3O2S/c1-3-13-7-4-8-17-15(13)14(16)10-12-6-5-9-18(11-12)21(2,19)20/h4,7-8,12,14H,3,5-6,9-11,16H2,1-2H3
InChIKeyQWUVOHKMCKDLJJ-UHFFFAOYSA-N
XLogP1.71
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956
1-(5-bromofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011114
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
1-(2-chloro-6-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011071
1-(2,5-difluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612441
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
1-(3-chloro-4-fluorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612155

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 82732453) is 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CCc1cccnc1C(N)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is QWUVOHKMCKDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-13-7-4-8-17-15(13)14(16)10-12-6-5-9-18(11-12)21(2,19)20/h4,7-8,12,14H,3,5-6,9-11,16H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 82732453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).