1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine

C12H19N3O2S — CID 60864901

IUPAC1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c13-11-4-8-15(9-5-11)18(16,17)10-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10,13H2
InChIKeyYAGBZLVXARGPOF-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.38
Rot. Bonds4

About 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine

1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine (PubChem CID 60864901) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
PubChem CID60864901
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C12H19N3O2S/c13-11-4-8-15(9-5-11)18(16,17)10-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10,13H2
InChIKeyYAGBZLVXARGPOF-UHFFFAOYSA-N
XLogP0.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine (CID 60864901) is 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The InChIKey is YAGBZLVXARGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-11-4-8-15(9-5-11)18(16,17)10-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10,13H2.
What are the key properties of 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 60864901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).