N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide

C14H20N4O2S — CID 61123182

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2S/c1-18-9-6-14(12-15,7-10-18)17-21(19,20)11-5-13-4-2-3-8-16-13/h2-4,8,17H,5-7,9-11H2,1H3
InChIKeyOSJZEPOQWLBJTH-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.53
Rot. Bonds5

About N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 61123182) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID61123182
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2S/c1-18-9-6-14(12-15,7-10-18)17-21(19,20)11-5-13-4-2-3-8-16-13/h2-4,8,17H,5-7,9-11H2,1H3
InChIKeyOSJZEPOQWLBJTH-UHFFFAOYSA-N
XLogP0.53
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide (CID 61123182) is N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide is CN1CCC(C#N)(NS(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is OSJZEPOQWLBJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-18-9-6-14(12-15,7-10-18)17-21(19,20)11-5-13-4-2-3-8-16-13/h2-4,8,17H,5-7,9-11H2,1H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 61123182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).