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

C12H15N3O2S — CID 97165916

IUPAC2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)C[C@H]1CCCCN1
InChIInChI=1S/C12H15N3O2S/c13-8-10-4-3-7-15-12(10)18(16,17)9-11-5-1-2-6-14-11/h3-4,7,11,14H,1-2,5-6,9H2/t11-/m1/s1
InChIKeyDXNLDEWUXBCKEU-LLVKDONJSA-N
MW265.34 g/mol
LogP0.87
Rot. Bonds3

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

2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile (PubChem CID 97165916) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
PubChem CID97165916
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1S(=O)(=O)C[C@H]1CCCCN1
InChIInChI=1S/C12H15N3O2S/c13-8-10-4-3-7-15-12(10)18(16,17)9-11-5-1-2-6-14-11/h3-4,7,11,14H,1-2,5-6,9H2/t11-/m1/s1
InChIKeyDXNLDEWUXBCKEU-LLVKDONJSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
CID 71645790
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
2-methyl-3-[[(2S)-piperidin-2-yl]methylsulfonyl]pyrazine
CID 97162673
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile (CID 97165916) is 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile is N#Cc1cccnc1S(=O)(=O)C[C@H]1CCCCN1.
What is the InChIKey of 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile?
The InChIKey is DXNLDEWUXBCKEU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-10-4-3-7-15-12(10)18(16,17)9-11-5-1-2-6-14-11/h3-4,7,11,14H,1-2,5-6,9H2/t11-/m1/s1.
What are the key properties of 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile?
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 97165916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).