4-(2-bromophenyl)sulfanylpiperidine;hydrochloride

C11H15BrClNS — CID 66591387

IUPAC4-(2-bromophenyl)sulfanylpiperidine;hydrochloride
SMILESBrc1ccccc1SC1CCNCC1.Cl
InChIInChI=1S/C11H14BrNS.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyIYGLJQDJMSCRPK-UHFFFAOYSA-N
MW308.67 g/mol
LogP3.71
Rot. Bonds2

About 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride

4-(2-bromophenyl)sulfanylpiperidine;hydrochloride (PubChem CID 66591387) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanylpiperidine;hydrochloride
PubChem CID66591387
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC Name4-(2-bromophenyl)sulfanylpiperidine;hydrochloride
SMILESBrc1ccccc1SC1CCNCC1.Cl
InChIInChI=1S/C11H14BrNS.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyIYGLJQDJMSCRPK-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride?
The IUPAC name of 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride (CID 66591387) is 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride.
What is the SMILES notation for 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride?
The canonical SMILES for 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride is Brc1ccccc1SC1CCNCC1.Cl.
What is the InChIKey of 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride?
The InChIKey is IYGLJQDJMSCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H.
What are the key properties of 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride?
4-(2-bromophenyl)sulfanylpiperidine;hydrochloride has a molecular weight of 308.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanylpiperidine;hydrochloride is sourced from PubChem (CID 66591387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).