5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride

C12H19ClN2O2S — CID 71638644

IUPAC5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CC2CCCNC2)nc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-5-12(14-7-10)17(15,16)9-11-3-2-6-13-8-11;/h4-5,7,11,13H,2-3,6,8-9H2,1H3;1H
InChIKeyTWOIHBRJIKOORN-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.59
Rot. Bonds3

About 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride

5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride (PubChem CID 71638644) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
PubChem CID71638644
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
SMILESCc1ccc(S(=O)(=O)CC2CCCNC2)nc1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-5-12(14-7-10)17(15,16)9-11-3-2-6-13-8-11;/h4-5,7,11,13H,2-3,6,8-9H2,1H3;1H
InChIKeyTWOIHBRJIKOORN-UHFFFAOYSA-N
XLogP1.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
CID 97165990
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
2-[[(3S)-piperidin-3-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165976
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 71635724
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
3-[(2,4,6-trimethylphenyl)sulfonylmethyl]pyrrolidine
CID 117036538
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride?
The IUPAC name of 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride (CID 71638644) is 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride.
What is the SMILES notation for 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride?
The canonical SMILES for 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride is Cc1ccc(S(=O)(=O)CC2CCCNC2)nc1.Cl.
What is the InChIKey of 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride?
The InChIKey is TWOIHBRJIKOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-10-4-5-12(14-7-10)17(15,16)9-11-3-2-6-13-8-11;/h4-5,7,11,13H,2-3,6,8-9H2,1H3;1H.
What are the key properties of 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride?
5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride is sourced from PubChem (CID 71638644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).