(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine

C13H17Cl2NS — CID 97301377

IUPAC(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
SMILESClc1cccc(Cl)c1SCC[C@@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NS/c14-11-5-3-6-12(15)13(11)17-9-7-10-4-1-2-8-16-10/h3,5-6,10,16H,1-2,4,7-9H2/t10-/m0/s1
InChIKeyIOFRYYBJHCPYQO-JTQLQIEISA-N
MW290.26 g/mol
LogP4.62
Rot. Bonds4

About (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine

(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine (PubChem CID 97301377) has the molecular formula C13H17Cl2NS and a molecular weight of 290.26 g/mol. Its IUPAC name is (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
PubChem CID97301377
Molecular FormulaC13H17Cl2NS
Molecular Weight290.26 g/mol
Exact Mass289.05
IUPAC Name(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
SMILESClc1cccc(Cl)c1SCC[C@@H]1CCCCN1
InChIInChI=1S/C13H17Cl2NS/c14-11-5-3-6-12(15)13(11)17-9-7-10-4-1-2-8-16-10/h3,5-6,10,16H,1-2,4,7-9H2/t10-/m0/s1
InChIKeyIOFRYYBJHCPYQO-JTQLQIEISA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylsulfanylethyl)azepane
CID 79223210
4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716656
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
4-fluoro-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79143656
4-bromo-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79533405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine?
The IUPAC name of (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine (CID 97301377) is (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine is Clc1cccc(Cl)c1SCC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine?
The InChIKey is IOFRYYBJHCPYQO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2NS/c14-11-5-3-6-12(15)13(11)17-9-7-10-4-1-2-8-16-10/h3,5-6,10,16H,1-2,4,7-9H2/t10-/m0/s1.
What are the key properties of (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine?
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine has a molecular weight of 290.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine is sourced from PubChem (CID 97301377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).