2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile

C12H15N3O2S — CID 97165976

IUPAC2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)C[C@H]1CCCNC1
InChIInChI=1S/C12H15N3O2S/c13-7-11-4-2-6-15-12(11)18(16,17)9-10-3-1-5-14-8-10/h2,4,6,10,14H,1,3,5,8-9H2/t10-/m0/s1
InChIKeyRQKCIERQUILDMN-JTQLQIEISA-N
MW265.34 g/mol
LogP0.73
Rot. Bonds3

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

2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile (PubChem CID 97165976) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
PubChem CID97165976
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)C[C@H]1CCCNC1
InChIInChI=1S/C12H15N3O2S/c13-7-11-4-2-6-15-12(11)18(16,17)9-10-3-1-5-14-8-10/h2,4,6,10,14H,1,3,5,8-9H2/t10-/m0/s1
InChIKeyRQKCIERQUILDMN-JTQLQIEISA-N
XLogP0.73
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
CID 71645790
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165998
2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
CID 97165990
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-(2-methylpiperazin-1-yl)sulfonylpyridine-3-carbonitrile;hydrochloride
CID 71639577
3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
CID 106630898
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile (CID 97165976) is 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile is N#Cc1cccnc1S(=O)(=O)C[C@H]1CCCNC1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile?
The InChIKey is RQKCIERQUILDMN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-7-11-4-2-6-15-12(11)18(16,17)9-10-3-1-5-14-8-10/h2,4,6,10,14H,1,3,5,8-9H2/t10-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile?
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 97165976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).