1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile

C13H17N3O2S — CID 62734075

IUPAC1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C13H17N3O2S/c14-11-13-3-8-16(9-4-13)19(17,18)10-5-12-1-6-15-7-2-12/h1-2,6-7,13H,3-5,8-10H2
InChIKeyOQOQOMCMXUCTOA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.19
Rot. Bonds4

About 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile

1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile (PubChem CID 62734075) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
PubChem CID62734075
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(S(=O)(=O)CCc2ccncc2)CC1
InChIInChI=1S/C13H17N3O2S/c14-11-13-3-8-16(9-4-13)19(17,18)10-5-12-1-6-15-7-2-12/h1-2,6-7,13H,3-5,8-10H2
InChIKeyOQOQOMCMXUCTOA-UHFFFAOYSA-N
XLogP1.19
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
2-[1-(2-pyridin-4-ylethylsulfonyl)piperidin-4-yl]oxyethanamine
CID 82687811
1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63032884
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
1-(azetidin-3-yl)-4-(2-pyridin-4-ylethylsulfonyl)piperazine
CID 66201584
1-(2-chloroethylsulfonyl)piperidine-4-carbonitrile
CID 164650538
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
1-(2-pyridin-4-ylethylsulfonyl)piperidine-3-carbaldehyde
CID 63845727
2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
CID 116837901
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile (CID 62734075) is 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile is N#CC1CCN(S(=O)(=O)CCc2ccncc2)CC1.
What is the InChIKey of 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile?
The InChIKey is OQOQOMCMXUCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-11-13-3-8-16(9-4-13)19(17,18)10-5-12-1-6-15-7-2-12/h1-2,6-7,13H,3-5,8-10H2.
What are the key properties of 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile?
1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile has a molecular weight of 279.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 62734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).