(2S)-2-(2-methylsulfanylphenyl)piperidine

C12H17NS — CID 7048099

IUPAC(2S)-2-(2-methylsulfanylphenyl)piperidine
SMILESCSc1ccccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H17NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-3,6,8,11,13H,4-5,7,9H2,1H3/t11-/m0/s1
InChIKeyRNJZOAIKTCXGNG-NSHDSACASA-N
MW207.34 g/mol
LogP3.22
Rot. Bonds2

About (2S)-2-(2-methylsulfanylphenyl)piperidine

(2S)-2-(2-methylsulfanylphenyl)piperidine (PubChem CID 7048099) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (2S)-2-(2-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-methylsulfanylphenyl)piperidine
PubChem CID7048099
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(2S)-2-(2-methylsulfanylphenyl)piperidine
SMILESCSc1ccccc1[C@@H]1CCCCN1
InChIInChI=1S/C12H17NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-3,6,8,11,13H,4-5,7,9H2,1H3/t11-/m0/s1
InChIKeyRNJZOAIKTCXGNG-NSHDSACASA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
CID 117330926
2-(2-cyclopentylphenyl)piperidine
CID 115005914
(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
CID 131498853
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
2-naphthalen-1-ylpiperidine
CID 4209523
2-[2-(fluoromethyl)phenyl]piperidine
CID 84664975
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2S)-2-naphthalen-1-ylazepane
CID 7048283
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylsulfanylphenyl)piperidine?
The IUPAC name of (2S)-2-(2-methylsulfanylphenyl)piperidine (CID 7048099) is (2S)-2-(2-methylsulfanylphenyl)piperidine.
What is the SMILES notation for (2S)-2-(2-methylsulfanylphenyl)piperidine?
The canonical SMILES for (2S)-2-(2-methylsulfanylphenyl)piperidine is CSc1ccccc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(2-methylsulfanylphenyl)piperidine?
The InChIKey is RNJZOAIKTCXGNG-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NS/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-3,6,8,11,13H,4-5,7,9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methylsulfanylphenyl)piperidine?
(2S)-2-(2-methylsulfanylphenyl)piperidine has a molecular weight of 207.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 7048099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).