2-piperidin-3-ylsulfinylpyridine;hydrochloride

C10H15ClN2OS — CID 71645974

IUPAC2-piperidin-3-ylsulfinylpyridine;hydrochloride
SMILESCl.O=S(c1ccccn1)C1CCCNC1
InChIInChI=1S/C10H14N2OS.ClH/c13-14(9-4-3-6-11-8-9)10-5-1-2-7-12-10;/h1-2,5,7,9,11H,3-4,6,8H2;1H
InChIKeyWXBUKDAMRDJRPV-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.36
Rot. Bonds2

About 2-piperidin-3-ylsulfinylpyridine;hydrochloride

2-piperidin-3-ylsulfinylpyridine;hydrochloride (PubChem CID 71645974) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfinylpyridine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylsulfinylpyridine;hydrochloride
PubChem CID71645974
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-piperidin-3-ylsulfinylpyridine;hydrochloride
SMILESCl.O=S(c1ccccn1)C1CCCNC1
InChIInChI=1S/C10H14N2OS.ClH/c13-14(9-4-3-6-11-8-9)10-5-1-2-7-12-10;/h1-2,5,7,9,11H,3-4,6,8H2;1H
InChIKeyWXBUKDAMRDJRPV-UHFFFAOYSA-N
XLogP1.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfinylpyridine;hydrochloride?
The IUPAC name of 2-piperidin-3-ylsulfinylpyridine;hydrochloride (CID 71645974) is 2-piperidin-3-ylsulfinylpyridine;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylsulfinylpyridine;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylsulfinylpyridine;hydrochloride is Cl.O=S(c1ccccn1)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfinylpyridine;hydrochloride?
The InChIKey is WXBUKDAMRDJRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c13-14(9-4-3-6-11-8-9)10-5-1-2-7-12-10;/h1-2,5,7,9,11H,3-4,6,8H2;1H.
What are the key properties of 2-piperidin-3-ylsulfinylpyridine;hydrochloride?
2-piperidin-3-ylsulfinylpyridine;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfinylpyridine;hydrochloride is sourced from PubChem (CID 71645974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).