1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine

C13H21N3O2S — CID 28731283

IUPAC1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-19(17,18)16-9-6-12(7-10-16)15-11-13-5-3-4-8-14-13/h3-5,8,12,15H,2,6-7,9-11H2,1H3
InChIKeyAHAQLFICLSVBNP-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.99
Rot. Bonds5

About 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 28731283) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID28731283
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-19(17,18)16-9-6-12(7-10-16)15-11-13-5-3-4-8-14-13/h3-5,8,12,15H,2,6-7,9-11H2,1H3
InChIKeyAHAQLFICLSVBNP-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 62743069

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine (CID 28731283) is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2ccccn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is AHAQLFICLSVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-19(17,18)16-9-6-12(7-10-16)15-11-13-5-3-4-8-14-13/h3-5,8,12,15H,2,6-7,9-11H2,1H3.
What are the key properties of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine?
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 28731283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).