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

C11H13N3S — CID 97165168

IUPAC2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1
InChIKeyVJNHBQLYTSDXTR-JTQLQIEISA-N
MW219.31 g/mol
LogP1.80
Rot. Bonds2

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

2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile (PubChem CID 97165168) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
PubChem CID97165168
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(S[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1
InChIKeyVJNHBQLYTSDXTR-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-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2-[(3R)-piperidin-3-yl]sulfanylpyrazine
CID 96641481
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile
CID 167949413
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
4-chloro-6-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71640713
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
2-piperidin-3-ylsulfanylpyrimidine;hydrochloride
CID 71637401
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile (CID 97165168) is 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(S[C@H]2CCCNC2)c1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile?
The InChIKey is VJNHBQLYTSDXTR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-10-2-1-4-13-8-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile?
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-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-4-carbonitrile is sourced from PubChem (CID 97165168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).