3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride

C11H17ClN2O2S — CID 71645608

IUPAC3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C11H16N2O2S.ClH/c14-16(15,11-3-6-12-7-4-11)9-10-2-1-5-13-8-10;/h1-2,5,8,11-12H,3-4,6-7,9H2;1H
InChIKeyUYJFHMNJMOCREV-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.17
Rot. Bonds3

About 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride

3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride (PubChem CID 71645608) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
PubChem CID71645608
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C11H16N2O2S.ClH/c14-16(15,11-3-6-12-7-4-11)9-10-2-1-5-13-8-10;/h1-2,5,8,11-12H,3-4,6-7,9H2;1H
InChIKeyUYJFHMNJMOCREV-UHFFFAOYSA-N
XLogP1.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638
2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71639933
2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 167894950
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
4-[(4-nitrophenyl)methylsulfonyl]piperidine;hydrochloride
CID 177197384
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
1-pyridin-3-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 97165900
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride?
The IUPAC name of 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride (CID 71645608) is 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride is Cl.O=S(=O)(Cc1cccnc1)C1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride?
The InChIKey is UYJFHMNJMOCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c14-16(15,11-3-6-12-7-4-11)9-10-2-1-5-13-8-10;/h1-2,5,8,11-12H,3-4,6-7,9H2;1H.
What are the key properties of 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride?
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 71645608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).