2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile

C12H15N3O2S — CID 71645790

IUPAC2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H15N3O2S/c13-8-11-2-1-5-15-12(11)18(16,17)9-10-3-6-14-7-4-10/h1-2,5,10,14H,3-4,6-7,9H2
InChIKeyDZDRLPMQOJMSFT-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.73
Rot. Bonds3

About 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile

2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile (PubChem CID 71645790) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
PubChem CID71645790
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H15N3O2S/c13-8-11-2-1-5-15-12(11)18(16,17)9-10-3-6-14-7-4-10/h1-2,5,10,14H,3-4,6-7,9H2
InChIKeyDZDRLPMQOJMSFT-UHFFFAOYSA-N
XLogP0.73
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile (CID 71645790) is 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile is N#Cc1cccnc1S(=O)(=O)CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile?
The InChIKey is DZDRLPMQOJMSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-11-2-1-5-15-12(11)18(16,17)9-10-3-6-14-7-4-10/h1-2,5,10,14H,3-4,6-7,9H2.
What are the key properties of 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile?
2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).