2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile

C12H15N3OS — CID 97166435

IUPAC2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc([S@@](=O)CC2CCNCC2)c1
InChIInChI=1S/C12H15N3OS/c13-8-11-3-6-15-12(7-11)17(16)9-10-1-4-14-5-2-10/h3,6-7,10,14H,1-2,4-5,9H2/t17-/m0/s1
InChIKeyFOXYXXFGQGSLNY-KRWDZBQOSA-N
MW249.34 g/mol
LogP1.06
Rot. Bonds3

About 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile

2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile (PubChem CID 97166435) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
PubChem CID97166435
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc([S@@](=O)CC2CCNCC2)c1
InChIInChI=1S/C12H15N3OS/c13-8-11-3-6-15-12(7-11)17(16)9-10-1-4-14-5-2-10/h3,6-7,10,14H,1-2,4-5,9H2/t17-/m0/s1
InChIKeyFOXYXXFGQGSLNY-KRWDZBQOSA-N
XLogP1.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
tert-butyl (3S)-3-[[(R)-(4-cyano-2-pyridinyl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97172550
5-methyl-2-[(R)-piperidin-4-ylmethylsulfinyl]pyridine
CID 97162928
2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
CID 71643682
tert-butyl (2R)-2-[[(R)-(4-cyano-2-pyridinyl)sulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97173017
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008
2-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97166442
1-(piperidin-4-ylmethoxy)isoquinoline-7-carbonitrile
CID 82569764
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
2-(cyclopropylmethylsulfinyl)pyridine
CID 66803349

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile (CID 97166435) is 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile is N#Cc1ccnc([S@@](=O)CC2CCNCC2)c1.
What is the InChIKey of 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile?
The InChIKey is FOXYXXFGQGSLNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-8-11-3-6-15-12(7-11)17(16)9-10-1-4-14-5-2-10/h3,6-7,10,14H,1-2,4-5,9H2/t17-/m0/s1.
What are the key properties of 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile?
2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile has a molecular weight of 249.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 97166435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).