1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine

C14H23N3O2S — CID 63255259

IUPAC1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c1-12(15)14-7-3-5-10-17(14)20(18,19)11-8-13-6-2-4-9-16-13/h2,4,6,9,12,14H,3,5,7-8,10-11,15H2,1H3
InChIKeyRQTWERZXWKLUKN-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds5

About 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine

1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine (PubChem CID 63255259) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
PubChem CID63255259
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c1-12(15)14-7-3-5-10-17(14)20(18,19)11-8-13-6-2-4-9-16-13/h2,4,6,9,12,14H,3,5,7-8,10-11,15H2,1H3
InChIKeyRQTWERZXWKLUKN-UHFFFAOYSA-N
XLogP1.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63767385
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
1-[1-[[2-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-2-yl]ethanamine;hydrochloride
CID 120999602
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine (CID 63255259) is 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)CCc1ccccn1.
What is the InChIKey of 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine?
The InChIKey is RQTWERZXWKLUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(15)14-7-3-5-10-17(14)20(18,19)11-8-13-6-2-4-9-16-13/h2,4,6,9,12,14H,3,5,7-8,10-11,15H2,1H3.
What are the key properties of 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine?
1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).