2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile

C11H13N3S — CID 118167443

IUPAC2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2CCCNC2)c1S
InChIInChI=1S/C11H13N3S/c12-6-8-3-5-14-10(11(8)15)9-2-1-4-13-7-9/h3,5,9,13,15H,1-2,4,7H2
InChIKeyIDGVQIWGHNURFS-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.71
Rot. Bonds1

About 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile

2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile (PubChem CID 118167443) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile
PubChem CID118167443
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2CCCNC2)c1S
InChIInChI=1S/C11H13N3S/c12-6-8-3-5-14-10(11(8)15)9-2-1-4-13-7-9/h3,5,9,13,15H,1-2,4,7H2
InChIKeyIDGVQIWGHNURFS-UHFFFAOYSA-N
XLogP1.71
TPSA48.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
1-piperidin-3-ylisoquinoline
CID 84782419
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
CID 144616313
2-(azetidin-3-yl)pyridine-3-carbonitrile
CID 67323023
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-(oxazepan-4-yl)pyridine-3-carbonitrile
CID 154409007
3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
CID 175661062
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile (CID 118167443) is 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(C2CCCNC2)c1S.
What is the InChIKey of 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile?
The InChIKey is IDGVQIWGHNURFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-8-3-5-14-10(11(8)15)9-2-1-4-13-7-9/h3,5,9,13,15H,1-2,4,7H2.
What are the key properties of 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile?
2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-3-sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 118167443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).