2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile

C11H13N3O2S — CID 97165864

IUPAC2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13N3O2S/c12-7-9-3-5-14-11(6-9)17(15,16)10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1
InChIKeyCPNUIALZJPDWAU-JTQLQIEISA-N
MW251.31 g/mol
LogP0.48
Rot. Bonds2

About 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile

2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile (PubChem CID 97165864) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
PubChem CID97165864
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13N3O2S/c12-7-9-3-5-14-11(6-9)17(15,16)10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1
InChIKeyCPNUIALZJPDWAU-JTQLQIEISA-N
XLogP0.48
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
CID 97166051
sodium;4-cyanopyridine-2-sulfonic acid;hydride
CID 173157024
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088
5-fluoro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71643530

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile (CID 97165864) is 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile is N#Cc1ccnc(S(=O)(=O)[C@H]2CCCNC2)c1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile?
The InChIKey is CPNUIALZJPDWAU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-7-9-3-5-14-11(6-9)17(15,16)10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile?
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile is sourced from PubChem (CID 97165864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).