2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride

C12H16ClN3O2S — CID 71645669

IUPAC2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccnc1S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H15N3O2S.ClH/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;1H
InChIKeyQBWGGRATSFBTQQ-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.29
Rot. Bonds3

About 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride

2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 71645669) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
PubChem CID71645669
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccnc1S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H15N3O2S.ClH/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;1H
InChIKeyQBWGGRATSFBTQQ-UHFFFAOYSA-N
XLogP1.29
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
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-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
4-methyl-2-(piperidin-2-ylmethylsulfonyl)pyrimidine;hydrochloride
CID 71638944
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
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-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride (CID 71645669) is 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1cccnc1S(=O)(=O)CC1CCCCN1.
What is the InChIKey of 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is QBWGGRATSFBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S.ClH/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;1H.
What are the key properties of 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride?
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 71645669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).