2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine

C14H23N3O3S — CID 82687811

IUPAC2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C14H23N3O3S/c15-6-11-20-14-3-9-17(10-4-14)21(18,19)12-5-13-1-7-16-8-2-13/h1-2,7-8,14H,3-6,9-12,15H2
InChIKeyCYOVCQPCOKWWKJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.39
Rot. Bonds7

About 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine

2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine (PubChem CID 82687811) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
PubChem CID82687811
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C14H23N3O3S/c15-6-11-20-14-3-9-17(10-4-14)21(18,19)12-5-13-1-7-16-8-2-13/h1-2,7-8,14H,3-6,9-12,15H2
InChIKeyCYOVCQPCOKWWKJ-UHFFFAOYSA-N
XLogP0.39
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
CID 62734075
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
2-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82842497
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
1-(2-pyridin-4-ylethylsulfonyl)piperidine-3-carbaldehyde
CID 63845727
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
3-(1-butylsulfonylpiperidin-4-yl)oxypropan-1-amine;hydrochloride
CID 119992515
5-methyl-1-(2-pyridin-4-ylethylsulfonyl)piperidin-3-amine
CID 79993282
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine (CID 82687811) is 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine is NCCOC1CCN(S(=O)(=O)CCc2ccncc2)CC1.
What is the InChIKey of 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine?
The InChIKey is CYOVCQPCOKWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-6-11-20-14-3-9-17(10-4-14)21(18,19)12-5-13-1-7-16-8-2-13/h1-2,7-8,14H,3-6,9-12,15H2.
What are the key properties of 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine?
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine has a molecular weight of 313.42 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82687811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).