2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine

C11H15ClN2O2S — CID 71639929

IUPAC2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)nc1)C1CCCNC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-4-3-9(6-14-11)8-17(15,16)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2
InChIKeyGHRLAVGWQHBLNL-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.40
Rot. Bonds3

About 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine

2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine (PubChem CID 71639929) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
PubChem CID71639929
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)nc1)C1CCCNC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-4-3-9(6-14-11)8-17(15,16)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2
InChIKeyGHRLAVGWQHBLNL-UHFFFAOYSA-N
XLogP1.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71639933
2-chloro-5-(piperidin-3-ylsulfonylmethyl)-1,3-thiazole
CID 71640431
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
CID 84755143
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine?
The IUPAC name of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine (CID 71639929) is 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine?
The canonical SMILES for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine is O=S(=O)(Cc1ccc(Cl)nc1)C1CCCNC1.
What is the InChIKey of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine?
The InChIKey is GHRLAVGWQHBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-11-4-3-9(6-14-11)8-17(15,16)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2.
What are the key properties of 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine?
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine has a molecular weight of 274.77 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 71639929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).