2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine

C12H20N4O2S — CID 79610285

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2ncccn2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-2-4-10(9-16)8-11(13)12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3
InChIKeyWLMLPXWGXCIZFF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.54
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine

2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 79610285) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
PubChem CID79610285
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
SMILESCS(=O)(=O)N1CCCC(CC(N)c2ncccn2)C1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-7-2-4-10(9-16)8-11(13)12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3
InChIKeyWLMLPXWGXCIZFF-UHFFFAOYSA-N
XLogP0.54
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
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
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine (CID 79610285) is 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine is CS(=O)(=O)N1CCCC(CC(N)c2ncccn2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is WLMLPXWGXCIZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)16-7-2-4-10(9-16)8-11(13)12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine?
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 284.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 79610285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).