2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile

C11H13N3S — CID 97165150

IUPAC2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S[C@H]1CCCNC1
InChIInChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2/t10-/m0/s1
InChIKeyGUGLTXNRLVSJLD-JTQLQIEISA-N
MW219.31 g/mol
LogP1.80
Rot. Bonds2

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

2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile (PubChem CID 97165150) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
PubChem CID97165150
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S[C@H]1CCCNC1
InChIInChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2/t10-/m0/s1
InChIKeyGUGLTXNRLVSJLD-JTQLQIEISA-N
XLogP1.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
CID 62721346
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
CID 71635674
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
CID 103846679
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile (CID 97165150) is 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile is N#Cc1cccnc1S[C@H]1CCCNC1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile?
The InChIKey is GUGLTXNRLVSJLD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10/h1,3,6,10,13H,2,4-5,8H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile?
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 97165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).