2-piperidin-3-ylsulfinylpyridine-3-carbonitrile

C11H13N3OS — CID 71645971

IUPAC2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)C1CCCNC1
InChIInChI=1S/C11H13N3OS/c12-7-9-3-1-6-14-11(9)16(15)10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2
InChIKeyFJWJMJGPCGBGPP-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.81
Rot. Bonds2

About 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile

2-piperidin-3-ylsulfinylpyridine-3-carbonitrile (PubChem CID 71645971) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
PubChem CID71645971
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)C1CCCNC1
InChIInChI=1S/C11H13N3OS/c12-7-9-3-1-6-14-11(9)16(15)10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2
InChIKeyFJWJMJGPCGBGPP-UHFFFAOYSA-N
XLogP0.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
CID 170987698
3-nitro-2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97177798
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile?
The IUPAC name of 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile (CID 71645971) is 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile.
What is the SMILES notation for 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile?
The canonical SMILES for 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile is N#Cc1cccnc1S(=O)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile?
The InChIKey is FJWJMJGPCGBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-7-9-3-1-6-14-11(9)16(15)10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2.
What are the key properties of 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile?
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile has a molecular weight of 235.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfinylpyridine-3-carbonitrile is sourced from PubChem (CID 71645971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).