2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine

C11H15ClN2O2S — CID 71639933

IUPAC2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)nc1)C1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-2-1-9(7-14-11)8-17(15,16)10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2
InChIKeyLFPUEQJEKHBNPJ-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.40
Rot. Bonds3

About 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine

2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine (PubChem CID 71639933) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
PubChem CID71639933
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccc(Cl)nc1)C1CCNCC1
InChIInChI=1S/C11H15ClN2O2S/c12-11-2-1-9(7-14-11)8-17(15,16)10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2
InChIKeyLFPUEQJEKHBNPJ-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-3-ylsulfonylmethyl)pyridine
CID 71639929
2-tert-butyl-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 167894950
3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
CID 71645608
4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603
4-[(4-nitrophenyl)methylsulfonyl]piperidine;hydrochloride
CID 177197384
2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
CID 170987713
5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
CID 167968231
5-(tert-butylsulfonylmethyl)-2-chloropyridine
CID 158112279
2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10421135
tert-butyl 3-[(6-chloro-3-pyridinyl)methylsulfonyl]piperidine-1-carboxylate
CID 71630952
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The IUPAC name of 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine (CID 71639933) is 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The canonical SMILES for 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine is O=S(=O)(Cc1ccc(Cl)nc1)C1CCNCC1.
What is the InChIKey of 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine?
The InChIKey is LFPUEQJEKHBNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-11-2-1-9(7-14-11)8-17(15,16)10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2.
What are the key properties of 2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine?
2-chloro-5-(piperidin-4-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-4-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 71639933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).